data_2l01_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 2l01 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 CA--C 1.564 1.481 0 N-CA-C 112.031 0.382 . . . . 75.400000000000006 112.031 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -65.96 -44.27 85.47 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.727 0.811 . . . . 74.340000000000003 111.727 173.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -61.6 -41.61 97.68 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.483 0.713 . . . . 74.129999999999995 110.874 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.655 ' HZ1' HD11 ' A' ' 11' ' ' LEU . 57.2 tttm -55.67 -53.66 53.86 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 114.591 -1.186 . . . . 75.140000000000001 111.169 169.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.11 -29.64 67.52 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.405 1.082 . . . . 74.540000000000006 112.809 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.86 -36.54 52.44 Favored Glycine 0 CA--C 1.536 1.376 0 CA-C-N 115.845 -0.616 . . . . 73.120000000000005 113.519 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.55 -39.09 81.23 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.465 0.706 . . . . 73.200000000000003 110.997 174.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.655 HD11 ' HZ1' ' A' ' 7' ' ' LYS . 70.8 mt -64.01 -41.16 97.55 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.883 0.873 . . . . 74.129999999999995 110.726 174.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.33 -42.08 86.02 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.55 0.74 . . . . 62.420000000000002 112.557 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.29 -54.34 38.72 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-N 115.652 -0.704 . . . . 65.420000000000002 113.741 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -67.97 -33.77 75.28 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 112.629 0.603 . . . . 74.5 112.629 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.493 HD12 ' HA3' ' A' ' 45' ' ' GLY . 87.5 mt -68.99 -43.18 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 C-N-CA 122.824 0.449 . . . . 74.430000000000007 111.003 176.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -59.88 -44.46 94.19 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 122.988 0.515 . . . . 75.140000000000001 111.082 174.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.31 -26.7 66.65 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.567 0.747 . . . . 75.519999999999996 112.328 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.46 -36.31 68.47 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.165 0.586 . . . . 61.409999999999997 111.317 173.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.1 mt -83.11 -15.7 49.75 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.705 0.802 . . . . 75.430000000000007 111.835 176.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -79.73 128.32 33.27 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.053 0.941 . . . . 75.209999999999994 109.396 173.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.24 -2.7 71.7 Favored Glycine 0 CA--C 1.541 1.7 0 N-CA-C 113.941 0.336 . . . . 71.209999999999994 113.941 -177.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.6 t -129.99 165.26 22.51 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.611 0.764 . . . . 72.310000000000002 110.734 175.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -93.31 -0.11 56.78 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 112.266 0.469 . . . . 74.329999999999998 112.266 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.32 140.18 3.65 Favored Glycine 0 C--N 1.352 1.42 0 N-CA-C 113.924 0.33 . . . . 62.409999999999997 113.924 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.0 mt -134.01 154.16 51.32 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.259 1.024 . . . . 72.409999999999997 109.928 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.533 ' HB ' ' HB3' ' A' ' 63' ' ' GLU . 38.0 p -92.28 173.24 7.92 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 110.005 -0.368 . . . . 72.120000000000005 110.005 171.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -51.03 -41.76 60.04 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 113.279 0.844 . . . . 71.319999999999993 113.279 -171.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.7 mttp -65.21 -43.49 91.37 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 112.773 0.657 . . . . 75.040000000000006 112.773 177.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -73.67 -31.95 63.73 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 112.189 0.44 . . . . 75.439999999999998 112.189 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.7 mt -67.06 -53.24 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.726 0.41 . . . . 74.340000000000003 110.205 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -62.96 -26.43 68.83 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 111.695 0.257 . . . . 74.540000000000006 111.695 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -66.79 -52.27 45.91 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.786 0.835 . . . . 75.439999999999998 110.452 174.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.72 -26.23 61.51 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 113.084 0.772 . . . . 72.409999999999997 113.084 -176.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.4 p -87.57 -17.8 31.17 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.975 0.91 . . . . 73.219999999999999 113.171 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.25 19.34 4.46 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 124.725 1.21 . . . . 72.019999999999996 112.175 -172.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.478 HD22 ' HB2' ' A' ' 41' ' ' ASP . 73.5 mt -63.31 116.72 5.75 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.572 0.349 . . . . 73.230000000000004 110.675 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -68.26 -31.45 70.93 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.139 0.576 . . . . 75.109999999999999 110.857 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.51 147.72 47.26 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.754 0.822 . . . . 73.400000000000006 112.187 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -59.79 -24.02 63.78 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 125.268 1.427 . . . . 71.299999999999997 112.703 171.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.4 ' H ' ' HG2' ' A' ' 40' ' ' LYS . 27.2 mmmt -51.42 -44.17 62.21 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 124.611 1.164 . . . . 72.019999999999996 111.837 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.478 ' HB2' HD22 ' A' ' 36' ' ' LEU . 4.2 m-20 -74.63 -31.15 61.89 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.589 -1.187 . . . . 70.319999999999993 111.447 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -60.34 -43.55 96.35 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.58 0.752 . . . . 75.510000000000005 111.368 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -64.79 -42.77 94.8 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.191 0.597 . . . . 62.240000000000002 112.504 -176.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 mp -66.75 -47.68 71.49 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 123.156 0.582 . . . . 75.0 111.645 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.512 ' O ' HD12 ' A' ' 49' ' ' LEU . . . -64.81 -45.86 91.36 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.242 -0.435 . . . . 55.140000000000001 113.103 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.2 tp -57.84 -41.3 82.02 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.252 1.021 . . . . 75.409999999999997 112.006 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.06 -31.23 80.01 Favored Glycine 0 N--CA 1.475 1.294 0 CA-C-N 115.249 -0.887 . . . . 73.5 112.423 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.465 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 22.3 t-105 -75.39 -28.07 59.32 Favored 'General case' 0 CA--C 1.562 1.439 0 C-N-CA 124.257 1.023 . . . . 74.510000000000005 111.578 177.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 45' ' ' GLY . 5.6 mp -73.24 -34.35 65.82 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.762 -0.586 . . . . 73.430000000000007 110.386 172.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.5 mt -67.79 -37.62 82.26 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.89 0.876 . . . . 74.030000000000001 111.868 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.609 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 8.5 ptt180 -61.73 -39.45 91.61 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 120.943 0.402 . . . . 73.439999999999998 111.756 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.609 ' HG3' ' HG3' ' A' ' 51' ' ' ARG . 53.1 mt-10 -93.36 -3.0 54.15 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.98 0.912 . . . . 73.030000000000001 111.966 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 64.39 27.51 13.64 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.102 0.961 . . . . 75.209999999999994 112.467 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -75.65 -20.7 58.3 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.344 0.658 . . . . 75.329999999999998 111.42 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.554 HG12 HD21 ' A' ' 68' ' ' LEU . 27.5 m -135.58 166.43 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-O 121.49 0.662 . . . . 72.340000000000003 111.959 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.3 p -127.41 134.0 66.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 124.438 1.095 . . . . 74.349999999999994 108.951 173.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.61 HG22 HG23 ' A' ' 66' ' ' VAL . 40.2 p -118.54 137.46 53.2 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.593 0.757 . . . . 72.430000000000007 111.14 -173.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -158.98 164.68 35.35 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.695 0.798 . . . . 75.329999999999998 110.082 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -95.57 129.92 42.6 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.359 0.6 . . . . 75.510000000000005 111.122 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.3 t -130.01 110.49 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.455 1.102 . . . . 74.140000000000001 108.425 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 55.83 31.95 18.65 Favored 'General case' 0 CA--C 1.566 1.582 0 C-N-CA 124.916 1.286 . . . . 74.219999999999999 113.556 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.36 -7.33 80.42 Favored Glycine 0 N--CA 1.481 1.667 0 N-CA-C 114.611 0.604 . . . . 73.310000000000002 114.611 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.533 ' HB3' ' HB ' ' A' ' 26' ' ' THR . 18.5 mm-40 -91.57 141.77 28.36 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.886 0.874 . . . . 72.510000000000005 112.065 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.9 mt -75.63 96.38 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.051 0 N-CA-C 109.513 -0.551 . . . . 72.150000000000006 109.513 168.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -86.37 119.41 26.61 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.793 0.837 . . . . 65.340000000000003 110.152 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.61 HG23 HG22 ' A' ' 57' ' ' THR . 22.0 t -125.27 144.99 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.637 0.775 . . . . 75.310000000000002 110.662 -176.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -158.21 155.16 28.51 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.665 0.386 . . . . 74.420000000000002 111.198 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.554 HD21 HG12 ' A' ' 55' ' ' VAL . 67.9 mt -63.37 140.78 58.91 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 122.676 0.39 . . . . 75.140000000000001 111.434 177.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.7 t . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 121.345 0.593 . . . . 73.409999999999997 111.221 -179.071 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 71.2 mtm . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.159 0.505 . . . . 75.329999999999998 111.736 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.3 mp -71.29 -15.38 62.42 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.25 0.62 . . . . 70.310000000000002 111.693 172.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -74.07 -38.03 64.06 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.071 0.462 . . . . 74.319999999999993 110.342 167.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -67.08 -40.1 86.94 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.742 -0.663 . . . . 75.25 111.693 -175.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -27.23 62.5 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 111.835 0.309 . . . . 74.319999999999993 111.835 175.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.06 -45.2 89.85 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.071 0.548 . . . . 73.219999999999999 110.766 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.36 -40.25 94.5 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 115.216 -0.902 . . . . 71.209999999999994 113.46 174.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.56 85.7 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.483 0.713 . . . . 74.329999999999998 112.318 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.456 ' O ' HG12 ' B' ' 15' ' ' ILE . 97.0 mt -65.07 -31.78 73.16 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.232 0.613 . . . . 74.540000000000006 112.386 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.2 -30.41 49.61 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 113.086 0.773 . . . . 73.409999999999997 113.086 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.99 -53.28 44.08 Favored Glycine 0 CA--C 1.538 1.515 0 CA-C-N 116.003 -0.544 . . . . 51.030000000000001 114.023 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -74.44 -32.26 62.56 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 112.603 0.594 . . . . 73.340000000000003 112.603 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.459 HD12 HG23 ' B' ' 34' ' ' THR . 43.1 mm -63.54 -44.35 98.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 C-N-CA 122.938 0.495 . . . . 75.120000000000005 109.771 174.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -60.17 -44.38 95.07 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 115.3 -0.863 . . . . 72.530000000000001 111.571 172.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.14 -33.51 73.52 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 112.885 0.698 . . . . 71.030000000000001 112.885 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.87 -36.01 82.23 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-O 120.868 0.366 . . . . 74.129999999999995 111.215 174.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.5 HD23 HD11 ' B' ' 30' ' ' ILE . 98.1 mt -81.1 -19.78 42.88 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.628 0.771 . . . . 74.340000000000003 112.557 176.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -67.84 121.82 16.82 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.712 0.805 . . . . 72.450000000000003 111.133 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.46 8.3 85.15 Favored Glycine 0 CA--C 1.538 1.489 0 N-CA-C 114.458 0.543 . . . . 70.230000000000004 114.458 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 31.7 p -118.54 167.57 11.48 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 117.464 0.632 . . . . 71.049999999999997 111.6 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -81.67 12.0 4.27 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.224 1.01 . . . . 75.319999999999993 111.399 171.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.2 148.13 18.28 Favored Glycine 0 C--N 1.345 1.061 0 C-N-CA 123.512 0.577 . . . . 70.040000000000006 112.277 -171.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 67.5 mt -128.51 160.55 31.98 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.703 0.801 . . . . 73.150000000000006 110.164 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 46.3 p -83.47 169.92 15.0 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.975 -0.557 . . . . 74.200000000000003 110.716 172.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -55.78 -41.05 73.49 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.604 0.761 . . . . 74.349999999999994 112.71 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -72.66 -36.19 67.9 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.948 0.899 . . . . 72.099999999999994 112.598 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . 0.441 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 52.6 mt-30 -66.46 -41.39 89.12 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.722 0.409 . . . . 75.530000000000001 111.105 177.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.5 HD11 HD23 ' B' ' 19' ' ' LEU . 70.3 mt -66.93 -49.81 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 123.151 0.58 . . . . 72.239999999999995 110.855 174.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -54.74 -39.24 68.08 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 124.46 1.104 . . . . 70.519999999999996 112.266 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -66.63 -48.64 68.83 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.078 0.951 . . . . 74.519999999999996 110.941 175.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.93 -27.61 66.77 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.591 0.757 . . . . 70.040000000000006 112.622 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.459 HG23 HD12 ' B' ' 15' ' ' ILE . 72.9 p -94.55 -13.96 25.51 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.829 0.852 . . . . 73.049999999999997 112.732 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 60.1 tttp 70.74 29.45 3.2 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 124.58 1.152 . . . . 75.439999999999998 111.535 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 73.0 mt -74.29 124.42 26.41 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 121.453 -0.779 . . . . 73.150000000000006 110.654 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -75.03 -49.02 21.18 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.929 0.892 . . . . 73.510000000000005 110.798 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.76 136.26 43.79 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.111 0.965 . . . . 63.439999999999998 110.546 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -68.34 -23.93 64.75 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.788 0.835 . . . . 73.519999999999996 111.925 176.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -52.82 -32.91 46.69 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.199 1.0 . . . . 74.140000000000001 112.452 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -73.99 -35.41 64.45 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 124.301 1.04 . . . . 75.030000000000001 111.491 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.81 -42.48 75.72 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.948 0.899 . . . . 75.510000000000005 112.101 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -62.64 -33.91 75.99 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.389 0.676 . . . . 64.430000000000007 112.325 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -73.47 -36.7 65.89 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 123.303 0.641 . . . . 71.340000000000003 111.184 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . 0.448 ' O ' HD11 ' B' ' 49' ' ' LEU . . . -69.12 -50.09 36.19 Favored Glycine 0 CA--C 1.538 1.519 0 CA-C-N 116.526 -0.306 . . . . 74.120000000000005 112.491 174.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.15 -36.32 77.28 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.824 1.249 . . . . 75.129999999999995 111.823 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.35 -31.12 79.81 Favored Glycine 0 N--CA 1.473 1.155 0 CA-C-N 115.502 -0.772 . . . . 61.100000000000001 112.585 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -75.83 -28.22 58.18 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 123.716 0.807 . . . . 72.329999999999998 111.196 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.523 HD23 HG12 ' B' ' 55' ' ' VAL . 6.5 mp -70.56 -36.73 73.79 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.229 0.612 . . . . 75.099999999999994 110.639 171.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.49 HD22 HG22 ' B' ' 57' ' ' THR . 86.4 mt -71.47 -37.48 71.34 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.843 0.857 . . . . 75.439999999999998 112.171 177.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.621 ' HG3' ' HG3' ' B' ' 52' ' ' GLU . 5.9 ptt180 -59.76 -36.03 75.81 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 112.142 0.423 . . . . 74.430000000000007 112.142 -178.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.621 ' HG3' ' HG3' ' B' ' 51' ' ' ARG . 45.5 mt-10 -101.74 -2.26 30.58 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.747 0.819 . . . . 74.200000000000003 111.905 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 34.5 t70 64.18 27.8 14.0 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 124.28 1.032 . . . . 72.230000000000004 111.802 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.467 ' HE3' ' HB2' ' B' ' 52' ' ' GLU . 16.2 ptpt -82.34 0.2 42.83 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 121.33 -0.856 . . . . 73.200000000000003 111.695 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.523 HG12 HD23 ' B' ' 49' ' ' LEU . 28.9 m -136.12 163.91 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 123.925 0.89 . . . . 74.310000000000002 112.672 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.403 HG12 HG21 ' B' ' 69' ' ' VAL . 15.9 m -116.17 136.04 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.918 1.287 . . . . 73.540000000000006 110.803 168.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' THR . . . . . 0.49 HG22 HD22 ' B' ' 50' ' ' LEU . 17.0 p -103.82 148.17 26.43 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.545 0.688 . . . . 74.430000000000007 112.75 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 67.9 m -149.08 171.31 16.63 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.744 1.617 . . . . 74.040000000000006 109.312 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -122.67 123.94 42.28 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 122.057 -0.402 . . . . 73.329999999999998 109.931 172.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 64.7 t -110.28 108.09 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.529 0.732 . . . . 64.209999999999994 109.332 172.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 57.7 36.03 26.2 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.984 1.313 . . . . 62.030000000000001 113.42 172.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.95 7.89 83.19 Favored Glycine 0 N--CA 1.48 1.628 0 N-CA-C 114.584 0.593 . . . . 64.349999999999994 114.584 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -117.92 147.33 43.23 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.678 0.791 . . . . 72.0 110.024 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 61.6 mt -71.11 122.35 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 122.638 0.375 . . . . 73.0 110.841 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -114.24 134.33 55.0 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 108.682 -0.859 . . . . 75.030000000000001 108.682 170.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.2 149.11 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 122.86 0.464 . . . . 73.099999999999994 110.715 176.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -138.23 158.67 43.84 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.073 0.949 . . . . 74.129999999999995 108.877 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 78.8 mt -67.0 144.34 56.26 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 119.102 0.864 . . . . 73.310000000000002 110.911 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.403 HG21 HG12 ' B' ' 56' ' ' VAL . 6.7 p . . . . . 0 N--CA 1.496 1.849 0 C-N-CA 123.775 0.83 . . . . 75.230000000000004 112.961 -174.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 N--CA 1.498 1.952 0 CA-C-O 120.722 0.296 . . . . 61.109999999999999 111.276 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -60.35 -50.16 74.72 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.592 1.157 . . . . 72.329999999999998 111.842 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -74.22 -50.56 18.61 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.982 0.913 . . . . 73.310000000000002 112.123 -170.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -59.18 -32.62 70.08 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.297 0.48 . . . . 73.150000000000006 112.297 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.5 -32.87 65.45 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.095 0.558 . . . . 74.120000000000005 111.497 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.19 -38.14 47.37 Favored Glycine 0 CA--C 1.536 1.353 0 CA-C-N 115.715 -0.675 . . . . 71.239999999999995 113.681 175.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.77 -49.79 60.54 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.167 0.587 . . . . 74.209999999999994 111.451 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.0 mt -58.33 -38.9 78.07 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.296 1.038 . . . . 74.140000000000001 111.038 174.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -57.23 -45.99 83.39 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.782 0.66 . . . . 70.409999999999997 112.782 177.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -52.86 50.62 Favored Glycine 0 C--N 1.345 1.039 0 CA-C-N 115.655 -0.702 . . . . 71.040000000000006 113.611 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -68.42 -33.18 73.75 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 112.877 0.695 . . . . 74.140000000000001 112.877 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.426 HD11 ' HA3' ' A' ' 45' ' ' GLY . 84.2 mt -66.92 -49.63 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 122.515 0.326 . . . . 73.019999999999996 111.03 175.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.417 ' NE1' ' HB3' ' A' ' 54' ' ' LYS . 84.6 t90 -61.36 -44.51 97.04 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.062 0.545 . . . . 75.329999999999998 111.709 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -62.0 -32.7 73.2 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.2 0.6 . . . . 75.040000000000006 112.186 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.57 -31.35 62.04 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.995 0.518 . . . . 75.329999999999998 111.591 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.7 mt -75.2 -25.98 58.63 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.612 0.765 . . . . 74.310000000000002 111.864 173.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -74.29 139.07 43.99 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 121.038 0.447 . . . . 72.019999999999996 112.038 -173.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.44 -1.06 81.53 Favored Glycine 0 C--N 1.346 1.134 0 CA-C-N 115.725 -0.671 . . . . 63.539999999999999 113.055 -175.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 p -126.63 178.85 5.64 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.257 0.623 . . . . 75.519999999999996 110.376 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -82.31 2.55 31.61 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 112.574 0.583 . . . . 71.549999999999997 112.574 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 67' ' ' LYS . . . 98.68 144.1 16.13 Favored Glycine 0 C--N 1.35 1.306 0 CA-C-O 120.194 -0.225 . . . . 25.32 112.629 -170.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.518 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 3.1 mm? -116.82 163.96 15.38 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 117.582 0.691 . . . . 72.409999999999997 112.061 -173.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.3 p -81.39 165.4 21.35 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 115.699 -0.682 . . . . 74.310000000000002 110.154 172.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -52.67 -41.01 63.45 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.139 0.576 . . . . 73.030000000000001 111.763 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -60.25 -52.18 66.4 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.483 0.713 . . . . 73.109999999999999 112.665 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.518 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 16.6 mm-40 -66.48 -36.26 82.31 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.166 0.587 . . . . 73.530000000000001 112.366 -176.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.4 mt -65.18 -43.03 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.18 0.592 . . . . 75.420000000000002 110.45 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -68.47 -26.61 65.58 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.798 0.839 . . . . 74.209999999999994 111.316 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.487 ' HB3' ' HZ3' ' A' ' 32' ' ' LYS . 3.4 mmmp? -70.33 -54.34 12.95 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.262 0.625 . . . . 73.099999999999994 111.103 168.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.23 -35.72 78.01 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.941 0.896 . . . . 63.140000000000001 113.392 -174.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.6 p -102.63 -12.46 17.7 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.643 0.777 . . . . 61.149999999999999 112.083 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt 50.34 41.22 24.28 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 126.152 1.781 . . . . 74.420000000000002 113.857 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.61 137.24 56.6 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 114.89 -1.05 . . . . 74.530000000000001 111.654 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -69.28 -60.37 2.39 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.695 0.798 . . . . 73.329999999999998 110.406 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.86 148.92 21.8 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.171 -0.922 . . . . 65.340000000000003 110.79 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -61.2 -27.31 68.34 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 115.547 -0.751 . . . . 62.5 110.879 164.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -61.33 -29.02 69.63 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.152 0.981 . . . . 64.010000000000005 112.468 175.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -64.46 -40.29 95.42 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 120.921 0.391 . . . . 74.530000000000001 110.288 173.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -68.3 -36.47 79.4 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.6 -0.727 . . . . 64.340000000000003 111.317 176.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -69.19 -38.3 78.57 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 112.678 0.622 . . . . 72.140000000000001 112.678 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mp -70.42 -42.4 71.64 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 122.614 0.366 . . . . 72.420000000000002 110.909 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.448 ' O ' HD12 ' A' ' 49' ' ' LEU . . . -61.94 -54.51 34.56 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-N 116.308 -0.406 . . . . 73.409999999999997 113.342 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 64.0 tp -61.54 -32.43 72.49 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.02 0.928 . . . . 75.120000000000005 111.751 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.02 -33.16 86.49 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 121.243 0.357 . . . . 71.109999999999999 112.463 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.518 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 21.7 t-105 -77.71 -35.42 52.06 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 122.993 0.517 . . . . 72.239999999999995 110.622 173.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.632 HD23 HG13 ' A' ' 55' ' ' VAL . 6.2 mp -56.77 -33.7 66.87 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.898 -0.501 . . . . 63.240000000000002 111.635 172.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.443 ' O ' ' HE3' ' B' ' 5' ' ' LYS . 93.2 mt -66.74 -43.39 84.28 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 123.362 0.665 . . . . 71.200000000000003 112.029 174.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -73.27 -17.95 61.27 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.788 -0.57 . . . . 75.209999999999994 111.386 178.096 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.494 ' HB3' ' HG3' ' A' ' 54' ' ' LYS . 17.3 mm-40 -83.61 -31.87 26.04 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.244 0.618 . . . . 73.040000000000006 110.195 174.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.4 t0 62.72 31.66 16.51 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.711 1.204 . . . . 62.32 110.384 -175.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.494 ' HG3' ' HB3' ' A' ' 52' ' ' GLU . 54.2 mtmt -91.77 -4.08 55.4 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 115.159 -0.928 . . . . 74.019999999999996 112.1 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.632 HG13 HD23 ' A' ' 49' ' ' LEU . 30.2 m -127.32 150.75 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 112.88 0.696 . . . . 63.200000000000003 112.88 -177.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.2 t -107.4 122.03 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 108.324 -0.991 . . . . 71.030000000000001 108.324 167.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.405 ' O ' ' SD ' ' B' ' 3' ' ' MET . 27.9 p -103.74 132.07 50.34 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.617 0.599 . . . . 75.239999999999995 112.617 -169.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.4 m -135.34 167.63 20.69 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.449 0.699 . . . . 63.450000000000003 110.578 176.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -127.7 122.84 33.98 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.277 0.631 . . . . 73.540000000000006 109.796 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 67.0 t -115.82 108.51 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.857 0.863 . . . . 75.200000000000003 109.657 -177.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 49.7 49.76 19.5 Favored 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 125.115 1.366 . . . . 73.010000000000005 113.651 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.85 -22.75 39.22 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 115.031 0.773 . . . . 50.240000000000002 115.031 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -107.85 157.12 18.43 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 117.646 0.723 . . . . 72.219999999999999 111.852 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.6 mt -82.53 125.36 39.9 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.302 0 C-N-CA 123.368 0.667 . . . . 74.519999999999996 110.995 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.415 ' CE2' ' HD2' ' A' ' 67' ' ' LYS . 35.3 t80 -124.67 104.02 8.44 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.093 0.957 . . . . 75.439999999999998 109.44 176.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.9 m -108.2 137.68 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-O 121.948 0.88 . . . . 71.049999999999997 112.603 -174.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.418 ' HA ' ' HA3' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -113.07 179.3 4.0 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.168 1.387 . . . . 75.099999999999994 108.333 -177.726 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.428 HD21 HG12 ' A' ' 55' ' ' VAL . 58.0 mt -108.45 149.1 29.23 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.688 -0.632 . . . . 75.439999999999998 112.114 176.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.1 t . . . . . 0 CA--C 1.548 0.87 0 N-CA-C 108.113 -1.069 . . . . 73.140000000000001 108.113 162.02 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' MET . . . . . 0.44 ' HG3' ' H ' ' B' ' 5' ' ' LYS . 45.6 tpp . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 111.929 0.344 . . . . 70.230000000000004 111.929 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.442 ' HA ' ' HG3' ' B' ' 7' ' ' LYS . 82.3 mt -63.53 -24.08 67.66 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 112.065 0.394 . . . . 75.450000000000003 112.065 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.443 ' HE3' ' O ' ' A' ' 50' ' ' LEU . 23.1 tptm -62.34 -43.62 98.39 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.475 1.11 . . . . 73.400000000000006 111.292 170.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -74.56 -47.06 34.86 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.142 0.577 . . . . 65.200000000000003 111.746 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.442 ' HG3' ' HA ' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -64.67 -25.02 67.77 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.109 0.164 . . . . 73.209999999999994 111.248 177.614 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.14 -44.49 87.86 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.823 0.449 . . . . 65.209999999999994 111.023 170.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.28 -41.5 78.72 Favored Glycine 0 C--N 1.35 1.355 0 CA-C-N 115.885 -0.598 . . . . 61.020000000000003 113.691 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.46 94.62 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.368 0.667 . . . . 74.120000000000005 112.134 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.42 HD13 ' HZ1' ' B' ' 7' ' ' LYS . 65.3 mt -68.74 -38.62 80.28 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.473 -0.785 . . . . 74.519999999999996 111.02 175.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . 0.448 ' HB1' ' HB3' ' B' ' 48' ' ' TRP . . . -54.39 -41.15 68.89 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 112.926 0.713 . . . . 74.430000000000007 112.926 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.82 -53.76 43.6 Favored Glycine 0 C--N 1.346 1.113 0 O-C-N 123.595 0.559 . . . . 60.310000000000002 113.451 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -74.65 -29.8 61.38 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 112.761 0.652 . . . . 74.329999999999998 112.761 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 77.9 mt -67.76 -47.65 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 C-N-CA 122.716 0.407 . . . . 74.219999999999999 110.739 175.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -62.69 -41.52 99.15 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.887 0.475 . . . . 72.230000000000004 110.991 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.05 -27.31 67.28 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 112.892 0.701 . . . . 72.219999999999999 112.892 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.97 73.13 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 121.082 0.468 . . . . 63.32 110.744 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.457 HD22 ' HA2' ' B' ' 24' ' ' GLY . 99.8 mt -76.75 -23.46 52.99 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.836 0.854 . . . . 75.120000000000005 111.944 174.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -79.43 143.37 35.07 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.263 0.625 . . . . 74.200000000000003 110.198 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.29 -13.35 67.5 Favored Glycine 0 CA--C 1.535 1.323 0 CA-C-N 115.866 -0.606 . . . . 73.549999999999997 112.22 -166.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 31.1 p -134.65 -177.39 4.59 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 124.067 0.947 . . . . 74.340000000000003 110.348 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -100.75 25.07 8.28 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.34 0.656 . . . . 62.229999999999997 110.862 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.688 ' HA3' ' HA ' ' B' ' 67' ' ' LYS . . . 98.08 173.77 33.02 Favored Glycine 0 CA--C 1.536 1.347 0 N-CA-C 115.384 0.914 . . . . 72.209999999999994 115.384 177.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.439 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 88.3 mt -150.41 167.22 27.75 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 124.985 1.314 . . . . 72.319999999999993 110.106 -174.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' B' ' 65' ' ' PHE . 39.0 p -78.59 164.89 24.28 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 109.955 -0.387 . . . . 75.230000000000004 109.955 170.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -49.73 -47.46 50.62 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.219 1.008 . . . . 75.239999999999995 112.045 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -68.42 -35.74 78.07 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 124.178 0.991 . . . . 70.310000000000002 112.121 -178.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . 0.439 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 97.6 mt-30 -73.17 -33.67 65.59 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.091 0.556 . . . . 65.120000000000005 112.054 176.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.402 HG13 ' O ' ' B' ' 26' ' ' THR . 81.5 mt -67.6 -43.66 86.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 123.253 0.621 . . . . 74.329999999999998 110.414 175.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -59.81 -27.36 66.52 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.749 0.819 . . . . 73.420000000000002 112.211 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -69.95 -43.27 71.9 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 123.786 0.834 . . . . 74.400000000000006 111.366 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.59 -41.79 44.93 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.597 0.759 . . . . 71.120000000000005 112.434 -177.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 77.4 p -81.62 -17.21 48.98 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.829 0.852 . . . . 70.510000000000005 112.718 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm 69.28 20.52 7.41 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.961 1.304 . . . . 73.519999999999996 112.106 -176.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 71.3 mt -72.49 110.11 6.64 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.999 0.52 . . . . 72.340000000000003 110.541 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -67.14 -48.49 67.89 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.116 0.966 . . . . 71.409999999999997 111.338 177.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.2 147.18 28.18 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 121.423 0.63 . . . . 62.310000000000002 112.146 -177.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -69.82 -36.22 75.44 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.817 0.847 . . . . 73.540000000000006 110.721 171.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -53.66 -44.57 69.77 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 125.696 1.598 . . . . 74.450000000000003 113.957 -174.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.21 -31.63 70.36 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.069 -0.514 . . . . 54.340000000000003 111.33 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -65.28 -42.32 93.3 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 116.067 -0.515 . . . . 75.150000000000006 111.627 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -62.27 -46.01 90.72 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 112.512 0.56 . . . . 74.230000000000004 112.512 -175.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mp -68.17 -39.74 82.49 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.921 0.489 . . . . 74.239999999999995 111.195 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . 0.462 ' O ' HD11 ' B' ' 49' ' ' LEU . . . -61.63 -48.37 84.83 Favored Glycine 0 CA--C 1.539 1.544 0 CA-C-N 116.568 -0.287 . . . . 51.43 112.893 173.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.06 -34.3 76.0 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.204 1.002 . . . . 70.439999999999998 111.689 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.67 -31.87 82.25 Favored Glycine 0 N--CA 1.471 0.976 0 CA-C-N 116.097 -0.501 . . . . 61.240000000000002 112.102 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' TRP . . . . . 0.448 ' HB3' ' HB1' ' B' ' 12' ' ' ALA . 12.0 t-105 -78.7 -29.98 45.77 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 123.461 0.705 . . . . 74.150000000000006 111.337 176.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.567 HD22 HG12 ' B' ' 55' ' ' VAL . 6.6 mp -64.8 -40.81 95.83 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 122.844 0.458 . . . . 71.120000000000005 110.867 170.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.3 mt -72.42 -34.15 67.63 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.172 0.989 . . . . 72.519999999999996 111.968 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -62.96 -26.7 68.96 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 122.761 0.424 . . . . 75.409999999999997 111.781 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.47 ' HB2' ' HE2' ' B' ' 54' ' ' LYS . 52.0 mt-10 -106.97 -4.27 19.24 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.459 0.704 . . . . 73.239999999999995 112.216 176.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 62.9 35.09 13.72 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.918 0.887 . . . . 71.340000000000003 111.67 175.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.47 ' HE2' ' HB2' ' B' ' 52' ' ' GLU . 47.9 mtmt -86.46 -8.66 57.42 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.634 0.774 . . . . 73.340000000000003 111.799 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.567 HG12 HD22 ' B' ' 49' ' ' LEU . 33.3 m -133.01 155.44 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 123.202 0.601 . . . . 75.319999999999993 112.276 -178.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 47.0 t -111.43 124.95 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.976 0.911 . . . . 74.25 109.24 169.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 26.6 p -103.26 146.33 28.6 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 121.676 0.75 . . . . 74.340000000000003 111.86 -176.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 64.1 m -149.17 172.56 14.63 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.002 1.321 . . . . 64.150000000000006 109.576 -174.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -116.17 109.25 17.2 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.964 -0.46 . . . . 54.219999999999999 110.374 175.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 74.6 t -117.8 123.54 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.834 0.853 . . . . 74.400000000000006 110.223 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 61.75 35.66 16.67 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.313 1.045 . . . . 74.409999999999997 111.796 174.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.43 -27.26 4.73 Favored Glycine 0 CA--C 1.534 1.272 0 CA-C-N 115.885 -0.598 . . . . 73.209999999999994 114.541 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -96.52 174.7 6.71 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.653 0.739 . . . . 74.25 112.251 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 62.4 mt -77.71 138.83 19.65 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.154 0 CA-C-N 115.434 -0.803 . . . . 64.409999999999997 111.104 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' PHE . . . . . 0.459 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 86.3 t80 -116.76 135.25 53.91 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.341 1.056 . . . . 75.439999999999998 108.873 171.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 48.7 t -131.05 113.01 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 123.321 0.649 . . . . 74.040000000000006 109.855 -177.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.688 ' HA ' ' HA3' ' B' ' 24' ' ' GLY . 15.6 pttp -110.73 169.16 8.94 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 109.314 -0.624 . . . . 74.0 109.314 174.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.403 HD22 HG11 ' B' ' 55' ' ' VAL . 48.1 mt -88.06 150.68 23.25 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 118.488 0.586 . . . . 73.239999999999995 111.383 176.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 109.125 -0.695 . . . . 73.519999999999996 109.125 166.126 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.0 tp . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 112.249 0.463 . . . . 72.129999999999995 112.249 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -73.7 -45.3 53.1 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 123.269 0.628 . . . . 73.349999999999994 111.515 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.76 -32.07 59.79 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 112.297 0.48 . . . . 73.319999999999993 112.297 -174.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -28.32 68.48 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 120.739 0.304 . . . . 75.430000000000007 110.75 175.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.74 -40.64 93.15 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.353 0.661 . . . . 71.129999999999995 110.739 170.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.84 -35.76 65.81 Favored Glycine 0 CA--C 1.543 1.792 0 CA-C-N 115.908 -0.587 . . . . 74.409999999999997 114.118 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.2 -46.09 88.65 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.258 0.623 . . . . 75.140000000000001 111.608 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 41' ' ' ASP . 70.5 mt -72.58 -31.69 65.41 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.644 0.778 . . . . 72.450000000000003 111.116 177.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.12 -44.88 75.41 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.146 0.979 . . . . 74.400000000000006 112.315 176.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.6 -49.0 67.41 Favored Glycine 0 CA--C 1.535 1.334 0 CA-C-N 115.372 -0.831 . . . . 54.149999999999999 113.401 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.469 HE21 ' HA ' ' A' ' 11' ' ' LEU . 44.7 mt-30 -62.34 -43.93 97.67 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.969 0.908 . . . . 73.109999999999999 112.208 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.522 HG22 HG22 ' A' ' 30' ' ' ILE . 86.3 mt -64.36 -42.79 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 123.583 0.753 . . . . 74.200000000000003 111.318 178.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -58.73 -44.78 90.54 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 123.802 0.841 . . . . 73.150000000000006 110.917 175.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.68 -30.26 69.75 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.88 0.872 . . . . 73.430000000000007 112.637 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.0 79.72 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 121.272 0.558 . . . . 64.239999999999995 110.751 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.461 HD23 HG11 ' A' ' 66' ' ' VAL . 6.1 mp -81.94 -20.64 38.23 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.213 1.005 . . . . 74.319999999999993 111.921 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -67.02 120.71 14.1 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 122.966 0.506 . . . . 75.25 111.448 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.46 16.07 79.95 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 115.946 -0.57 . . . . 64.319999999999993 114.282 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.1 p -122.55 169.17 11.28 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.189 0.596 . . . . 72.219999999999999 111.238 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -87.73 10.5 18.09 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.398 0.679 . . . . 74.040000000000006 112.38 172.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.473 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 104.36 152.56 22.29 Favored Glycine 0 C--N 1.346 1.139 0 N-CA-C 114.662 0.625 . . . . 45.009999999999998 114.662 175.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.431 HD12 HD13 ' A' ' 19' ' ' LEU . 5.5 mp -129.08 153.01 48.06 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 124.156 0.982 . . . . 63.439999999999998 109.595 -178.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.9 p -87.74 172.91 9.32 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.323 0.649 . . . . 64.439999999999998 110.394 174.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -59.58 -34.82 73.19 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 112.332 0.493 . . . . 62.109999999999999 112.332 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -62.95 -46.48 87.57 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.665 0.786 . . . . 73.430000000000007 112.255 172.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.41 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 52.4 mt-30 -66.26 -47.86 72.35 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.304 0.642 . . . . 74.409999999999997 112.421 -177.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.522 HG22 HG22 ' A' ' 15' ' ' ILE . 57.5 mt -69.75 -44.92 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 123.331 0.652 . . . . 74.239999999999995 111.841 -176.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -53.18 -42.53 66.32 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.894 0.877 . . . . 73.319999999999993 111.544 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -70.15 -45.78 66.08 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 123.857 0.863 . . . . 75.409999999999997 111.57 173.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.18 -22.94 63.88 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 113.355 0.872 . . . . 74.010000000000005 113.355 -174.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.6 p -107.81 -7.04 16.43 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 124.075 0.95 . . . . 72.340000000000003 111.433 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt 66.66 29.19 8.89 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.902 1.281 . . . . 75.25 111.798 176.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.02 119.06 10.72 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.906 0.482 . . . . 73.129999999999995 111.588 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -55.4 -37.66 67.89 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.655 1.182 . . . . 73.340000000000003 112.224 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -133.49 147.68 51.66 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.757 0.823 . . . . 71.439999999999998 110.849 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.5 -24.2 66.43 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 115.17 -0.923 . . . . 70.349999999999994 111.645 170.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -60.36 -35.29 75.35 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.903 0.881 . . . . 73.530000000000001 112.201 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.539 ' HB3' HD12 ' A' ' 11' ' ' LEU . 25.3 m-20 -66.25 -38.14 87.16 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.714 0.806 . . . . 74.239999999999995 110.632 173.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -67.87 -42.02 81.93 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 114.971 -1.013 . . . . 75.120000000000005 112.693 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -63.47 -39.53 94.71 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 122.886 0.475 . . . . 74.140000000000001 112.141 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -71.36 -35.83 71.28 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.392 0.677 . . . . 73.129999999999995 111.038 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.49 -59.52 8.71 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 116.194 -0.457 . . . . 73.5 113.428 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -29.31 70.19 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.0 0.52 . . . . 74.340000000000003 110.413 177.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.79 -29.98 71.64 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-N 116.046 -0.525 . . . . 75.019999999999996 112.517 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.596 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 10.8 t-105 -72.79 -41.58 64.83 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 122.595 0.358 . . . . 74.439999999999998 110.548 171.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.655 HD23 HG12 ' A' ' 55' ' ' VAL . 6.1 mp -56.25 -30.1 61.95 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 123.941 0.896 . . . . 61.109999999999999 112.435 176.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.0 mt -67.0 -39.52 87.13 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.692 0.797 . . . . 73.120000000000005 112.448 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.596 ' HE ' ' HA ' ' A' ' 48' ' ' TRP . 15.3 ptp180 -73.92 -25.92 60.24 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 121.014 0.435 . . . . 73.519999999999996 110.793 178.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -78.69 -27.9 45.12 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.415 0.686 . . . . 74.099999999999994 110.318 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 56.05 27.71 11.76 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.885 1.274 . . . . 72.239999999999995 112.205 -174.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -85.91 -1.25 57.11 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 115.733 -0.667 . . . . 74.519999999999996 110.979 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.655 HG12 HD23 ' A' ' 49' ' ' LEU . 28.0 m -128.09 152.69 36.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 123.786 0.835 . . . . 63.420000000000002 111.933 176.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 p -114.1 127.43 71.52 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 124.27 1.028 . . . . 74.209999999999994 109.669 167.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.603 ' HB ' HD11 ' B' ' 4' ' ' LEU . 52.2 p -105.95 133.25 50.96 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.959 0.904 . . . . 74.150000000000006 110.92 -174.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.426 ' HA ' ' HE1' ' B' ' 3' ' ' MET . 38.6 t -122.33 143.42 49.65 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.963 0.905 . . . . 74.209999999999994 110.194 174.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -95.14 104.05 15.92 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 109.342 -0.614 . . . . 75.25 109.342 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.3 t -111.08 108.28 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 123.457 0.703 . . . . 74.230000000000004 110.21 -177.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 57.98 38.92 26.88 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.889 1.276 . . . . 72.439999999999998 112.863 171.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.35 -1.92 86.2 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 114.782 0.673 . . . . 72.340000000000003 114.782 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -114.59 160.34 19.39 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.554 0.742 . . . . 73.239999999999995 112.005 -177.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.405 HG23 HD13 ' B' ' 4' ' ' LEU . 63.0 mt -82.82 113.62 22.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 115.185 -0.916 . . . . 74.200000000000003 111.561 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.402 ' HD2' ' HB3' ' A' ' 58' ' ' SER . 73.8 t80 -106.27 128.58 54.08 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 107.584 -1.265 . . . . 74.420000000000002 107.584 165.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.461 HG11 HD23 ' A' ' 19' ' ' LEU . 7.1 p -139.68 143.23 30.96 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-O 120.866 0.365 . . . . 74.329999999999998 111.164 -177.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.473 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 21.4 ptmt -143.05 167.45 22.04 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.652 0.781 . . . . 75.329999999999998 109.626 174.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.431 HD23 HG11 ' A' ' 55' ' ' VAL . 24.6 mt -68.6 149.27 49.36 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 118.421 0.555 . . . . 72.409999999999997 111.172 173.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.3 t . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 109.42 -0.585 . . . . 73.340000000000003 109.42 170.483 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' MET . . . . . 0.426 ' HE1' ' HA ' ' A' ' 58' ' ' SER . 1.7 tpt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 112.601 0.593 . . . . 61.450000000000003 112.601 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.603 HD11 ' HB ' ' A' ' 57' ' ' THR . 96.7 mt -61.79 -42.73 99.37 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.39 1.076 . . . . 74.340000000000003 112.602 177.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -68.87 -39.75 79.67 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.292 -0.413 . . . . 74.430000000000007 111.77 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -67.13 -43.03 83.41 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 116.339 -0.392 . . . . 75.340000000000003 112.019 -176.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -39.36 94.24 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.306 0.243 . . . . 74.040000000000006 110.98 178.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.55 -34.72 77.5 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.613 0.765 . . . . 71.439999999999998 110.906 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.36 -35.72 59.91 Favored Glycine 0 CA--C 1.539 1.531 0 CA-C-N 115.394 -0.821 . . . . 75.540000000000006 113.463 175.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.43 -43.22 86.27 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.783 0.833 . . . . 74.209999999999994 111.566 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.536 ' HA ' HE21 ' B' ' 14' ' ' GLN . 59.2 mt -68.81 -35.69 77.31 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.907 0.883 . . . . 75.530000000000001 110.669 175.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . 0.428 ' HB3' ' HB3' ' B' ' 48' ' ' TRP . . . -55.98 -52.09 65.41 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.41 1.084 . . . . 74.519999999999996 112.799 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.78 -40.91 73.54 Favored Glycine 0 CA--C 1.532 1.131 0 O-C-N 123.834 0.709 . . . . 73.209999999999994 113.851 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.536 HE21 ' HA ' ' B' ' 11' ' ' LEU . 32.5 mt-30 -65.01 -48.33 74.3 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.176 0.591 . . . . 73.549999999999997 110.922 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.505 HG21 HG22 ' B' ' 30' ' ' ILE . 66.4 mt -62.89 -42.76 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.904 0.881 . . . . 72.510000000000005 111.843 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . 0.417 ' HE1' ' HB3' ' B' ' 54' ' ' LYS . 79.7 t90 -66.0 -43.07 88.84 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.357 0.663 . . . . 74.510000000000005 111.329 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -61.09 -34.28 74.68 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.195 0.598 . . . . 63.450000000000003 112.195 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.01 -37.83 88.87 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.002 0.521 . . . . 73.140000000000001 111.373 173.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.605 HD21 HD11 ' B' ' 30' ' ' ILE . 95.5 mt -79.45 -24.99 42.05 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.941 0.896 . . . . 74.319999999999993 112.233 179.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . 0.43 ' HA ' HD11 ' B' ' 68' ' ' LEU . 63.9 t30 -68.66 132.78 47.46 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.58 0.752 . . . . 74.129999999999995 111.449 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.15 5.85 87.37 Favored Glycine 0 CA--C 1.542 1.756 0 CA-C-N 116.205 -0.452 . . . . 72.430000000000007 113.699 -176.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.2 m -126.9 158.61 36.3 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.788 0.835 . . . . 75.219999999999999 110.888 -173.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -72.57 -11.43 60.65 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.928 0.891 . . . . 75.430000000000007 112.807 177.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.98 150.14 7.58 Favored Glycine 0 N--CA 1.475 1.243 0 C-N-CA 123.428 0.537 . . . . 71.450000000000003 112.87 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.6 mp -126.72 157.98 37.65 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.735 0.814 . . . . 72.450000000000003 110.156 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 34.3 p -81.14 172.46 13.64 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 116.298 -0.41 . . . . 72.239999999999995 110.466 171.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -57.93 -47.96 81.34 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.054 0.542 . . . . 74.340000000000003 110.649 175.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.94 -46.88 78.38 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.447 1.099 . . . . 73.439999999999998 111.918 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -63.93 -40.86 97.43 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.239 0.616 . . . . 74.409999999999997 111.845 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.605 HD11 HD21 ' B' ' 19' ' ' LEU . 69.6 mt -70.44 -42.49 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.004 0.522 . . . . 71.439999999999998 111.7 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -55.77 -39.93 71.92 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 123.336 0.655 . . . . 74.409999999999997 111.197 176.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -49.36 48.55 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-N 115.12 -0.946 . . . . 74.340000000000003 110.816 176.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.69 89.75 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 123.826 0.85 . . . . 73.400000000000006 112.675 -176.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 50.6 p -90.37 -12.15 38.44 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.682 1.193 . . . . 74.420000000000002 112.121 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.05 34.69 4.97 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.205 1.002 . . . . 74.439999999999998 112.195 176.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 92.5 mt -80.61 138.3 36.43 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 109.263 -0.643 . . . . 75.0 109.263 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -85.51 -52.29 5.94 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.054 0.454 . . . . 73.420000000000002 111.215 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -95.17 141.71 28.46 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.515 0.726 . . . . 72.200000000000003 111.055 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -58.97 -27.26 65.21 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.78 0.832 . . . . 74.109999999999999 111.44 171.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -52.33 -40.91 62.52 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.898 1.279 . . . . 71.349999999999994 112.288 172.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -63.48 -37.7 88.3 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.162 0.585 . . . . 74.019999999999996 110.944 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -66.72 -46.16 76.39 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.068 -0.969 . . . . 74.209999999999994 111.72 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -69.82 -35.97 75.24 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 112.649 0.611 . . . . 72.099999999999994 112.649 -175.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp -72.69 -40.4 66.25 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.095 0.558 . . . . 73.340000000000003 111.279 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . 0.405 ' O ' HD11 ' B' ' 49' ' ' LEU . . . -66.64 -55.97 15.23 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 116.26 -0.427 . . . . 74.540000000000006 112.872 175.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.574 HD13 HG23 ' B' ' 66' ' ' VAL . 57.6 tp -58.32 -35.92 72.59 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.159 0.984 . . . . 62.340000000000003 112.198 176.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.91 -32.1 83.05 Favored Glycine 0 N--CA 1.474 1.23 0 CA-C-N 115.871 -0.604 . . . . 70.299999999999997 112.257 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' TRP . . . . . 0.539 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 27.6 t-105 -75.43 -34.25 60.97 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.301 0.641 . . . . 63.5 110.535 173.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.641 HD21 HG12 ' B' ' 55' ' ' VAL . 6.6 mp -61.38 -32.81 72.74 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.9 -0.5 . . . . 74.420000000000002 111.43 172.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.56 -39.4 77.43 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.551 0.74 . . . . 72.230000000000004 111.723 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' B' ' 48' ' ' TRP . 0.0 OUTLIER -74.44 -24.45 59.07 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-N 117.865 0.302 . . . . 72.340000000000003 111.319 177.497 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -80.29 -18.15 50.11 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.47 0.708 . . . . 70.519999999999996 110.663 171.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.91 17.27 10.77 Favored 'General case' 0 CA--C 1.56 1.327 0 C-N-CA 125.195 1.398 . . . . 73.420000000000002 111.63 176.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.417 ' HB3' ' HE1' ' B' ' 16' ' ' TRP . 9.9 mtmp? -85.65 -5.85 59.22 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.929 0.892 . . . . 74.450000000000003 113.135 -175.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.641 HG12 HD21 ' B' ' 49' ' ' LEU . 22.8 m -134.68 163.91 35.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.495 0.664 . . . . 71.319999999999993 112.761 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 p -135.27 133.64 52.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 124.786 1.234 . . . . 71.150000000000006 109.71 174.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 68.4 p -105.11 133.73 49.4 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.726 0.811 . . . . 74.400000000000006 110.521 -173.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 92.5 p -126.97 159.81 32.94 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.878 0.871 . . . . 71.209999999999994 110.577 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -98.4 105.0 17.09 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.463 0.705 . . . . 73.430000000000007 110.805 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.5 t -114.79 109.69 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.188 0.595 . . . . 74.209999999999994 110.713 172.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 58.85 35.69 24.34 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.863 1.265 . . . . 75.549999999999997 113.88 168.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.95 10.45 83.97 Favored Glycine 0 CA--C 1.54 1.63 0 N-CA-C 113.841 0.297 . . . . 64.439999999999998 113.841 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -125.75 153.52 43.84 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.384 1.074 . . . . 73.430000000000007 111.388 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 61.2 mt -78.16 113.84 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 123.11 0.564 . . . . 64.310000000000002 110.369 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -111.43 110.6 21.13 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.375 -0.972 . . . . 72.329999999999998 108.375 172.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.574 HG23 HD13 ' B' ' 46' ' ' LEU . 7.5 p -116.16 149.21 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 122.931 0.492 . . . . 74.25 110.872 -176.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -146.07 166.53 25.84 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.06 0.944 . . . . 75.129999999999995 109.743 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.43 HD11 ' HA ' ' B' ' 20' ' ' ASN . 45.4 mt -76.17 155.3 34.69 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 122.17 -0.331 . . . . 72.329999999999998 111.426 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 26.2 t . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 122.265 1.031 . . . . 74.430000000000007 110.548 174.664 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' B' ' 59' ' ' GLU . 0.3 OUTLIER . . . . . 0 CA--C 1.566 1.559 0 N-CA-C 113.385 0.883 . . . . 75.109999999999999 113.385 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -75.73 -37.94 58.93 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.131 0.572 . . . . 73.040000000000006 110.37 176.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -63.42 -42.53 98.72 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.784 0.802 . . . . 74.010000000000005 109.961 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -59.15 -47.95 83.42 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 114.22 -1.354 . . . . 74.439999999999998 111.753 172.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.03 -34.15 71.58 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.862 0.865 . . . . 73.230000000000004 111.777 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.64 -33.99 63.26 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-N 114.985 -1.007 . . . . 72.099999999999994 113.217 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.93 -45.42 67.55 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.519 0.727 . . . . 71.140000000000001 111.192 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -61.56 -31.08 71.1 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 124.081 0.952 . . . . 73.329999999999998 111.455 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.403 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -56.04 -45.2 79.26 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.448 0.907 . . . . 63.439999999999998 113.448 177.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.18 -52.89 46.49 Favored Glycine 0 CA--C 1.535 1.309 0 O-C-N 123.686 0.616 . . . . 61.020000000000003 114.242 -175.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -67.35 -37.69 83.64 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 123.407 0.683 . . . . 73.409999999999997 112.253 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.655 HD13 ' HA3' ' A' ' 45' ' ' GLY . 61.9 mt -65.94 -41.96 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 123.172 0.589 . . . . 75.120000000000005 111.308 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -62.28 -46.15 90.06 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.258 0.623 . . . . 75.409999999999997 111.109 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.28 -26.79 68.24 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.444 0.698 . . . . 75.310000000000002 112.381 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.95 -37.65 81.84 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.218 0.607 . . . . 63.539999999999999 110.903 173.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.5 mt -79.55 -24.55 42.06 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.245 1.018 . . . . 63.530000000000001 112.413 175.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.437 ' HA ' HD13 ' A' ' 68' ' ' LEU . 25.1 t-20 -71.12 121.13 17.73 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.189 0.596 . . . . 74.010000000000005 111.819 -172.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.86 -2.85 44.97 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-N 115.905 -0.589 . . . . 71.219999999999999 114.343 -175.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.0 p -125.95 176.17 7.18 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 117.88 0.84 . . . . 75.129999999999995 111.518 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -81.33 -1.64 46.11 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.627 0.771 . . . . 73.439999999999998 112.043 175.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.32 152.65 8.68 Favored Glycine 0 C--N 1.346 1.086 0 C-N-CA 123.161 0.41 . . . . 73.230000000000004 112.51 -173.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.511 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 98.3 mt -129.91 160.92 32.09 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.629 0.772 . . . . 73.209999999999994 111.076 -177.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.3 p -80.98 164.65 22.39 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.587 0.755 . . . . 73.430000000000007 110.805 170.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -60.78 -28.28 68.63 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 122.7 0.4 . . . . 75.129999999999995 111.817 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -56.11 -53.79 52.8 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.751 0.821 . . . . 74.409999999999997 112.024 168.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.511 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 15.5 mm-40 -72.83 -39.74 66.35 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.718 0.807 . . . . 64.129999999999995 112.297 -173.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.5 -52.94 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.436 0.694 . . . . 75.340000000000003 110.97 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.492 ' HG3' ' HB2' ' A' ' 36' ' ' LEU . 3.5 ttpm? -61.51 -35.05 76.6 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.651 0.78 . . . . 74.340000000000003 111.752 -177.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -67.55 -48.84 65.79 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 123.425 0.69 . . . . 75.140000000000001 111.608 175.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.35 99.03 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.414 0.686 . . . . 54.409999999999997 111.786 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.437 ' OG1' ' HG ' ' A' ' 36' ' ' LEU . 76.9 p -85.2 -9.06 58.25 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.403 1.081 . . . . 71.540000000000006 112.614 -177.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt 68.6 23.79 7.12 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.495 1.118 . . . . 73.5 112.007 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.492 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 79.1 mt -69.94 152.14 44.82 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.03 0.532 . . . . 75.150000000000006 110.474 178.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.458 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -96.39 -29.65 13.83 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.277 0.631 . . . . 74.329999999999998 111.429 -167.743 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.15 167.6 21.8 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.885 0.874 . . . . 64.310000000000002 111.674 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -61.93 -29.13 70.01 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.701 1.2 . . . . 72.239999999999995 111.438 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -43.57 76.97 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.561 1.145 . . . . 75.109999999999999 112.505 176.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -64.31 -39.32 93.68 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.602 0.715 . . . . 74.430000000000007 110.706 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -63.55 -43.52 96.82 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 114.353 -1.294 . . . . 74.239999999999995 112.011 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -64.38 -40.15 95.27 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 112.587 0.588 . . . . 73.319999999999993 112.587 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.05 -46.57 88.58 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.538 0.735 . . . . 71.140000000000001 111.671 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.655 ' HA3' HD13 ' A' ' 15' ' ' ILE . . . -69.88 -47.6 46.29 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-N 116.198 -0.455 . . . . 42.130000000000003 113.367 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.22 -36.79 78.49 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.856 0.862 . . . . 70.409999999999997 112.1 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.98 -30.9 74.6 Favored Glycine 0 N--CA 1.476 1.302 0 CA-C-N 115.576 -0.738 . . . . 64.430000000000007 112.542 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.571 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 8.7 t-105 -77.7 -35.43 52.12 Favored 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 123.435 0.694 . . . . 74.400000000000006 111.555 177.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.518 HD23 HG12 ' A' ' 55' ' ' VAL . 6.6 mp -61.91 -37.19 83.7 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.188 0.595 . . . . 73.329999999999998 111.036 173.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.9 mt -64.89 -49.33 70.91 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.844 0.858 . . . . 71.340000000000003 112.291 175.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.571 ' HG2' ' HA ' ' A' ' 48' ' ' TRP . 15.4 ptm180 -63.99 -34.78 78.76 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 113.221 0.822 . . . . 64.540000000000006 113.221 -174.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.66 6.79 47.13 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 112.162 0.43 . . . . 73.230000000000004 112.162 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.45 31.08 15.19 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.856 0.862 . . . . 70.310000000000002 111.664 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -88.67 -14.84 36.4 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.973 0.909 . . . . 65.530000000000001 111.899 -173.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.518 HG12 HD23 ' A' ' 49' ' ' LEU . 27.5 m -132.52 174.52 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 112.723 0.638 . . . . 75.340000000000003 112.723 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.3 p -131.36 128.95 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.852 0.861 . . . . 74.549999999999997 109.091 160.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.9 p -102.59 148.08 25.99 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.601 0.715 . . . . 73.140000000000001 111.534 -174.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.6 t -146.84 171.34 15.34 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.531 -1.213 . . . . 74.519999999999996 108.953 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.34 122.1 34.45 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.947 0.499 . . . . 65.219999999999999 109.926 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.5 t -115.04 111.45 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.516 1.126 . . . . 63.020000000000003 110.777 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 50.92 43.49 28.64 Favored 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 125.638 1.575 . . . . 73.120000000000005 114.892 169.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.4 -7.63 61.91 Favored Glycine 0 N--CA 1.479 1.563 0 N-CA-C 114.971 0.748 . . . . 71.200000000000003 114.971 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -127.24 162.74 25.5 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 117.715 0.758 . . . . 71.439999999999998 111.547 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.2 mt -82.9 131.27 34.13 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 C-N-CA 123.532 0.733 . . . . 74.329999999999998 111.335 -176.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -119.71 111.29 17.84 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.507 1.123 . . . . 75.409999999999997 108.583 174.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.1 t -103.74 138.08 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.072 0.549 . . . . 73.319999999999993 110.669 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -121.43 168.78 11.3 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.153 0.981 . . . . 72.420000000000002 109.24 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 20' ' ' ASN . 45.8 mt -88.9 -177.87 5.59 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 118.183 0.447 . . . . 61.130000000000003 110.377 167.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.0 t . . . . . 0 N--CA 1.503 2.178 0 CA-C-O 121.948 0.88 . . . . 72.340000000000003 111.567 -178.913 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 113.045 0.758 . . . . 63.539999999999999 113.045 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.74 -22.84 67.11 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 115.193 -0.912 . . . . 74.439999999999998 110.855 171.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -71.57 -44.68 64.07 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.526 0.73 . . . . 72.409999999999997 111.471 171.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -65.83 -42.9 89.99 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.149 0.58 . . . . 71.400000000000006 111.656 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -27.17 62.34 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 122.269 0.227 . . . . 71.150000000000006 111.465 175.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.9 -50.51 68.47 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 123.128 0.571 . . . . 74.5 111.342 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.38 -32.22 78.88 Favored Glycine 0 CA--C 1.535 1.328 0 CA-C-N 115.635 -0.712 . . . . 72.409999999999997 113.725 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.18 -49.2 72.96 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.262 0.625 . . . . 75.420000000000002 111.015 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.471 ' O ' HG12 ' B' ' 15' ' ' ILE . 94.2 mt -63.13 -34.57 77.91 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.576 0.75 . . . . 74.430000000000007 111.451 176.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.19 -31.44 52.9 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.393 0.677 . . . . 64.310000000000002 112.628 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.09 -53.68 42.92 Favored Glycine 0 CA--C 1.54 1.635 0 CA-C-N 116.034 -0.53 . . . . 70.439999999999998 113.48 172.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -74.59 -31.12 61.95 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 112.604 0.594 . . . . 72.109999999999999 112.604 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.471 HG12 ' O ' ' B' ' 11' ' ' LEU . 41.9 mm -65.6 -43.69 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 C-N-CA 123.244 0.618 . . . . 72.129999999999995 109.887 175.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -62.92 -45.12 93.98 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 115.514 -0.767 . . . . 72.010000000000005 110.978 173.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -63.69 -29.08 70.35 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.212 0.605 . . . . 62.020000000000003 112.541 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.53 -41.18 93.39 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 122.914 0.486 . . . . 63.229999999999997 110.667 172.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.595 HD21 HG22 ' B' ' 66' ' ' VAL . 92.3 mt -79.68 -15.37 57.69 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.637 0.775 . . . . 73.530000000000001 112.561 175.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . 0.486 ' HA ' HD11 ' B' ' 68' ' ' LEU . 50.4 t30 -71.02 123.95 23.26 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.972 0.509 . . . . 74.400000000000006 110.346 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.03 -2.1 75.12 Favored Glycine 0 CA--C 1.538 1.493 0 CA-C-N 115.963 -0.562 . . . . 71.129999999999995 113.596 -174.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 18.5 p -121.11 162.72 19.57 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 117.515 0.657 . . . . 72.519999999999996 110.629 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -105.15 10.86 33.69 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.004 0.522 . . . . 75.540000000000006 111.164 175.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.488 ' HA2' ' HB3' ' B' ' 67' ' ' LYS . . . 156.47 128.43 1.08 Allowed Glycine 0 C--N 1.352 1.441 0 N-CA-C 114.295 0.478 . . . . 74.120000000000005 114.295 178.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 95.8 mt -132.72 161.41 34.08 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.424 1.09 . . . . 74.25 109.611 170.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 23.1 p -84.57 171.05 12.79 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 120.744 0.307 . . . . 71.409999999999997 110.255 166.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -56.79 -36.6 70.07 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.185 0.594 . . . . 74.310000000000002 112.131 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' B' ' 32' ' ' LYS . 88.1 mttt -67.56 -45.67 74.95 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.49 1.116 . . . . 71.400000000000006 112.112 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.76 -35.82 81.06 Favored 'General case' 0 N--CA 1.497 1.884 0 C-N-CA 123.054 0.542 . . . . 75.120000000000005 111.948 176.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 28.3 mt -66.0 -44.58 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 122.932 0.493 . . . . 72.439999999999998 111.343 173.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -59.34 -27.96 66.39 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 122.947 0.499 . . . . 74.540000000000006 112.164 177.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' B' ' 28' ' ' LYS . 14.1 mmmm -70.73 -47.16 61.15 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 122.767 0.427 . . . . 74.150000000000006 111.526 174.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.29 -30.32 67.31 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.341 0.656 . . . . 73.120000000000005 112.501 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 81.4 p -94.99 -21.94 18.27 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.101 0.96 . . . . 75.109999999999999 112.251 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 66.78 28.25 8.96 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 124.878 1.271 . . . . 74.310000000000002 112.034 -176.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 78.1 mt -72.63 128.39 35.41 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 116.08 -0.509 . . . . 72.099999999999994 109.781 172.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -80.0 -45.33 18.61 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.593 0.757 . . . . 75.099999999999994 110.002 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.89 142.37 28.96 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 115.228 -0.896 . . . . 64.010000000000005 111.829 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -69.29 -24.95 64.02 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.188 0.995 . . . . 75.120000000000005 110.817 170.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -52.91 -41.61 64.58 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.179 1.392 . . . . 74.340000000000003 112.643 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.31 -37.79 77.95 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.316 0.646 . . . . 75.140000000000001 111.057 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -60.27 -48.33 82.18 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 115.976 -0.556 . . . . 73.019999999999996 111.791 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -59.05 -35.41 73.28 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.174 0.59 . . . . 73.519999999999996 112.559 -175.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -73.02 -37.1 67.05 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.407 0.683 . . . . 75.040000000000006 111.546 176.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . 0.447 ' O ' HD11 ' B' ' 49' ' ' LEU . . . -66.4 -54.8 21.28 Favored Glycine 0 CA--C 1.539 1.54 0 CA-C-N 116.59 -0.277 . . . . 70.200000000000003 112.743 175.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 68.6 tp -59.15 -35.34 73.35 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.418 1.087 . . . . 70.239999999999995 112.266 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.31 -33.56 84.94 Favored Glycine 0 N--CA 1.477 1.368 0 CA-C-O 121.45 0.472 . . . . 75.420000000000002 112.498 178.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' TRP . . . . . 0.505 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 9.7 t-105 -77.85 -31.89 51.74 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.398 0.679 . . . . 64.140000000000001 111.233 176.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.582 ' HB3' HG23 ' B' ' 55' ' ' VAL . 7.3 mp -62.34 -37.54 86.04 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.104 0.562 . . . . 63.049999999999997 111.469 172.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 94.2 mt -71.29 -35.6 71.37 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.485 0.714 . . . . 72.329999999999998 112.298 175.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' B' ' 48' ' ' TRP . 0.0 OUTLIER -68.94 -36.37 77.87 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 112.241 0.46 . . . . 74.010000000000005 112.241 -176.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.56 ' HB2' ' HG3' ' B' ' 54' ' ' LYS . 48.8 mt-10 -87.03 -19.23 28.96 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.722 0.409 . . . . 73.140000000000001 111.346 176.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 60.97 50.04 5.4 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 122.483 1.135 . . . . 75.109999999999999 111.071 -168.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.56 ' HG3' ' HB2' ' B' ' 52' ' ' GLU . 23.7 mtpp -76.83 -29.45 55.94 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 113.773 -1.558 . . . . 73.239999999999995 109.528 172.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.582 HG23 ' HB3' ' B' ' 49' ' ' LEU . 17.1 m -132.63 166.9 27.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 CA-C-N 115.201 -0.909 . . . . 73.349999999999994 111.526 -175.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.27 135.93 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.158 1.383 . . . . 55.109999999999999 108.886 167.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' THR . . . . . 0.438 ' HB ' HG13 ' B' ' 66' ' ' VAL . 2.5 t -127.74 152.51 47.66 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.576 0.703 . . . . 74.420000000000002 110.749 -176.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 71.0 m -120.83 139.74 52.73 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 114.693 -1.14 . . . . 65.230000000000004 109.939 -172.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.443 ' HB2' HD21 ' A' ' 4' ' ' LEU . 40.0 tt0 -96.78 101.3 12.87 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 107.648 -1.241 . . . . 74.349999999999994 107.648 177.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 72.3 t -123.65 109.2 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.915 0.886 . . . . 72.049999999999997 110.11 -169.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 53.89 30.89 12.28 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 125.129 1.371 . . . . 75.420000000000002 112.899 176.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.68 -21.4 41.44 Favored Glycine 0 CA--C 1.543 1.844 0 N-CA-C 114.631 0.612 . . . . 74.140000000000001 114.631 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -86.31 141.87 28.92 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.754 0.821 . . . . 73.200000000000003 111.84 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 49.0 mt -85.85 105.1 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.222 0 C-N-CA 123.57 0.748 . . . . 74.409999999999997 110.612 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -105.36 101.94 11.45 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.463 0.705 . . . . 75.450000000000003 110.366 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.595 HG22 HD21 ' B' ' 19' ' ' LEU . 33.8 m -99.53 150.29 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 123.969 0.907 . . . . 73.430000000000007 111.941 -172.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.488 ' HB3' ' HA2' ' B' ' 24' ' ' GLY . 19.3 pttm -158.21 160.43 37.15 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 123.419 0.688 . . . . 71.129999999999995 109.752 177.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.486 HD11 ' HA ' ' B' ' 20' ' ' ASN . 45.2 mt -65.62 160.23 23.04 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 118.9 0.773 . . . . 64.319999999999993 111.252 175.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 89.2 t . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 121.677 0.751 . . . . 62.329999999999998 109.31 170.277 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.671 0.272 . . . . 73.010000000000005 111.449 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -69.31 -53.71 18.28 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.29 1.036 . . . . 75.209999999999994 111.519 176.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.39 -28.34 67.85 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 122.747 0.419 . . . . 75.129999999999995 111.191 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -67.4 -45.66 75.52 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.385 1.074 . . . . 71.519999999999996 109.529 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.95 84.71 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.913 0.885 . . . . 62.329999999999998 111.674 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.3 -33.71 73.67 Favored Glycine 0 CA--C 1.539 1.559 0 CA-C-N 115.828 -0.624 . . . . 74.420000000000002 114.021 175.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.94 -42.59 85.05 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.241 0.616 . . . . 75.239999999999995 111.037 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.5 mt -64.74 -39.05 92.98 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.97 0.908 . . . . 64.530000000000001 111.088 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.464 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -56.27 -36.43 68.57 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.753 0.821 . . . . 72.120000000000005 112.31 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.52 -39.45 97.35 Favored Glycine 0 CA--C 1.54 1.616 0 CA-C-N 115.74 -0.664 . . . . 65.409999999999997 113.213 172.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -70.26 -53.35 17.31 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.407 0.683 . . . . 74.310000000000002 111.943 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.09 -44.05 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 C-N-CA 123.707 0.803 . . . . 75.239999999999995 110.55 -176.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -66.96 -40.34 87.46 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 112.276 0.473 . . . . 72.400000000000006 112.276 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -65.52 -26.36 67.87 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 118.559 0.618 . . . . 74.239999999999995 112.151 175.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.04 -31.31 68.88 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 123.048 0.539 . . . . 75.409999999999997 111.073 171.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.435 HD22 HG11 ' A' ' 66' ' ' VAL . 94.2 mt -85.82 -24.91 26.58 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.156 0.982 . . . . 75.200000000000003 112.237 176.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.536 ' HA ' HD13 ' A' ' 68' ' ' LEU . 64.3 t30 -73.18 125.45 27.75 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.151 0.58 . . . . 64.030000000000001 111.188 -173.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.56 11.15 80.52 Favored Glycine 0 CA--C 1.538 1.508 0 CA-C-N 116.008 -0.542 . . . . 74.25 114.132 -175.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.8 p -124.69 168.76 12.73 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.367 0.667 . . . . 73.129999999999995 110.382 176.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -76.03 -12.26 60.1 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 123.231 0.612 . . . . 75.329999999999998 111.46 173.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.57 158.16 7.64 Favored Glycine 0 C--N 1.34 0.776 0 N-CA-C 111.173 -0.771 . . . . 40.310000000000002 111.173 -170.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.4 tp -147.1 148.18 31.33 Favored 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 117.132 0.466 . . . . 72.420000000000002 110.098 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.401 HG23 ' HD1' ' A' ' 65' ' ' PHE . 35.1 p -85.08 164.2 18.35 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.07 0.548 . . . . 74.239999999999995 111.4 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.475 ' NE2' HD13 ' A' ' 64' ' ' ILE . 35.1 tt0 -52.84 -50.4 63.81 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.987 0.915 . . . . 74.030000000000001 112.696 -178.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -56.29 -48.13 77.25 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.756 0.822 . . . . 75.439999999999998 112.196 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -73.37 -27.08 61.29 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 115.577 -0.738 . . . . 74.219999999999999 112.365 -175.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.2 mt -72.64 -48.13 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 122.806 0.443 . . . . 63.539999999999999 110.38 173.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.446 ' HZ1' ' HB3' ' A' ' 31' ' ' LYS . 8.1 mtpm? -61.14 -26.08 67.44 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 123.417 0.687 . . . . 71.349999999999994 111.843 177.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -66.43 -53.82 31.27 Favored 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 123.983 0.913 . . . . 74.340000000000003 110.985 169.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.15 -26.23 64.77 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.747 0.819 . . . . 61.409999999999997 112.95 -175.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.4 p -98.35 -18.91 18.07 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.301 1.04 . . . . 70.530000000000001 111.922 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt 68.94 26.43 5.76 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 124.63 1.172 . . . . 73.409999999999997 112.208 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.44 102.49 5.2 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.123 -0.489 . . . . 74.409999999999997 110.31 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -61.31 -43.97 97.99 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.265 1.026 . . . . 74.340000000000003 110.822 174.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.96 146.14 28.17 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.37 0.668 . . . . 74.099999999999994 112.306 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.11 -36.28 81.59 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.437 1.095 . . . . 65.439999999999998 111.71 171.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -53.75 -48.29 69.83 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 125.225 1.41 . . . . 73.129999999999995 112.626 -173.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.86 -29.46 70.41 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 114.864 -1.062 . . . . 74.219999999999999 112.218 -176.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -65.11 -45.64 84.3 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.359 -0.382 . . . . 75.099999999999994 110.8 173.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -67.64 -36.62 81.13 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.16 0.584 . . . . 74.239999999999995 112.165 -176.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.86 -41.31 75.03 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.203 0.601 . . . . 75.310000000000002 111.138 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.46 ' O ' HD12 ' A' ' 49' ' ' LEU . . . -65.17 -53.75 31.36 Favored Glycine 0 C--N 1.352 1.463 0 CA-C-N 116.321 -0.4 . . . . 74.430000000000007 113.09 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.428 HD11 HG22 ' A' ' 66' ' ' VAL . 56.8 tp -63.11 -33.69 76.0 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.391 1.077 . . . . 74.340000000000003 111.907 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.39 -31.22 68.59 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-N 115.606 -0.724 . . . . 70.519999999999996 112.825 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.464 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 39.6 t-105 -74.45 -28.43 61.04 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 123.025 0.53 . . . . 72.230000000000004 111.226 177.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.622 HD23 HG12 ' A' ' 55' ' ' VAL . 4.4 mp -62.51 -28.99 70.22 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 123.93 0.892 . . . . 72.439999999999998 111.726 173.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.77 -33.23 75.21 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.691 0.796 . . . . 75.329999999999998 112.165 172.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.671 ' HG2' ' HA ' ' B' ' 51' ' ' ARG . 8.2 mtp180 -58.05 -40.03 79.95 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.417 0.627 . . . . 74.209999999999994 111.2 172.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -85.57 -27.14 25.71 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.087 -0.96 . . . . 75.239999999999995 111.27 -175.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 60.0 27.11 16.47 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.573 1.149 . . . . 71.329999999999998 111.418 -174.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -85.06 -3.59 58.85 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.186 -0.915 . . . . 74.349999999999994 111.489 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.622 HG12 HD23 ' A' ' 49' ' ' LEU . 25.6 m -131.82 164.56 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.695 0.798 . . . . 71.140000000000001 111.019 177.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.58 137.77 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.961 0 C-N-CA 124.333 1.053 . . . . 75.129999999999995 109.584 173.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.1 p -104.05 139.94 38.45 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.309 0.644 . . . . 65.230000000000004 111.544 -170.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.9 m -125.48 144.35 50.58 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.45 1.1 . . . . 71.5 110.425 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -97.91 105.07 17.16 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.98 -0.748 . . . . 73.230000000000004 108.98 176.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.4 t -113.29 109.88 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.281 0.633 . . . . 75.310000000000002 110.498 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 53.01 31.67 11.48 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 114.2 1.185 . . . . 75.530000000000001 114.2 169.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.54 -2.42 64.9 Favored Glycine 0 CA--C 1.54 1.61 0 N-CA-C 115.339 0.896 . . . . 65.209999999999994 115.339 177.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -114.33 154.15 28.53 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 118.435 1.118 . . . . 62.130000000000003 112.071 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.475 HD13 ' NE2' ' A' ' 27' ' ' GLN . 58.1 mt -77.18 110.09 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-N 115.672 -0.695 . . . . 75.540000000000006 110.679 177.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.401 ' HD1' HG23 ' A' ' 26' ' ' THR . 89.2 t80 -104.56 142.36 34.78 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 108.554 -0.906 . . . . 75.420000000000002 108.554 167.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.435 HG11 HD22 ' A' ' 19' ' ' LEU . 5.7 p -139.16 149.83 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 122.776 0.43 . . . . 64.319999999999993 110.056 173.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.477 ' HZ1' ' HB2' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -143.89 153.62 42.51 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.281 0.632 . . . . 71.340000000000003 110.733 -175.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.536 HD13 ' HA ' ' A' ' 20' ' ' ASN . 51.2 mt -71.52 144.84 49.48 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.724 0.297 . . . . 74.140000000000001 110.906 175.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 t . . . . . 0 CA--C 1.569 1.682 0 CA-C-O 121.412 0.625 . . . . 72.150000000000006 110.022 173.157 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 86.5 mtp . . . . . 0 CA--C 1.547 0.855 0 N-CA-C 109.96 -0.385 . . . . 65.310000000000002 109.96 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.27 -13.83 42.7 Favored 'General case' 0 CA--C 1.563 1.479 0 C-N-CA 123.528 0.731 . . . . 74.430000000000007 112.491 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -66.37 -40.18 89.59 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.191 0.996 . . . . 75.129999999999995 110.817 172.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -69.53 -41.05 76.51 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.035 0.445 . . . . 74.230000000000004 109.93 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -60.79 -34.25 74.21 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.681 0.792 . . . . 75.420000000000002 111.205 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.84 -44.45 86.53 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.67 0.788 . . . . 72.129999999999995 111.597 171.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.25 -32.49 76.17 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 115.918 -0.583 . . . . 62.200000000000003 114.144 176.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.79 -40.52 88.15 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.352 0.661 . . . . 71.319999999999993 111.76 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.512 ' HA ' HE21 ' B' ' 14' ' ' GLN . 79.6 mt -65.87 -40.65 91.84 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.448 0.699 . . . . 71.519999999999996 110.822 172.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' B' ' 48' ' ' TRP . . . -59.54 -38.47 81.12 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.737 0.815 . . . . 74.439999999999998 113.162 -177.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . 0.402 ' O ' ' HG3' ' B' ' 17' ' ' GLU . . . -59.35 -53.62 44.71 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 123.664 0.603 . . . . 62.130000000000003 113.289 178.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.512 HE21 ' HA ' ' B' ' 11' ' ' LEU . 29.2 pt20 -70.84 -30.97 67.53 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.194 0.598 . . . . 75.439999999999998 112.411 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.552 HD12 ' HA3' ' B' ' 45' ' ' GLY . 64.1 mt -67.35 -46.03 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 122.943 0.497 . . . . 73.530000000000001 110.826 176.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -56.86 -41.26 77.62 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 123.799 0.84 . . . . 65.230000000000004 111.418 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' B' ' 13' ' ' GLY . 52.5 mt-10 -62.67 -35.04 78.39 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.767 0.827 . . . . 65.140000000000001 112.438 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 -33.12 75.24 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.309 0.643 . . . . 71.299999999999997 111.579 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 mp -83.24 -22.85 32.98 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.508 0.723 . . . . 74.120000000000005 111.502 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -74.26 126.7 31.2 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.931 0.492 . . . . 64.340000000000003 109.826 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.49 -13.9 66.49 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 114.048 0.379 . . . . 75.430000000000007 114.048 -175.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 46.2 p -110.36 172.72 6.7 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.529 0.732 . . . . 72.439999999999998 110.204 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -79.75 0.15 31.88 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 122.877 0.471 . . . . 64.239999999999995 111.915 172.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.21 154.41 14.45 Favored Glycine 0 C--N 1.346 1.109 0 N-CA-C 111.971 -0.452 . . . . 73.230000000000004 111.971 -171.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.505 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 95.9 mt -131.78 154.6 48.92 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.721 0.808 . . . . 75.340000000000003 110.453 -175.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' B' ' 65' ' ' PHE . 43.5 p -77.49 163.6 26.19 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 109.362 -0.607 . . . . 73.299999999999997 109.362 172.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . 0.742 ' HG3' ' HD2' ' B' ' 28' ' ' LYS . 4.4 pt20 -52.57 -40.04 62.18 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 112.797 0.666 . . . . 73.150000000000006 112.797 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.742 ' HD2' ' HG3' ' B' ' 27' ' ' GLN . 0.3 OUTLIER -63.54 -42.17 98.43 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 123.455 0.702 . . . . 74.319999999999993 111.605 177.101 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . 0.505 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 17.1 mm-40 -67.97 -42.56 80.68 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.391 0.676 . . . . 71.349999999999994 111.477 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.453 HG22 HG21 ' B' ' 15' ' ' ILE . 78.5 mt -63.58 -45.57 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.707 0.803 . . . . 74.239999999999995 110.926 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.576 ' HZ1' ' HB3' ' B' ' 31' ' ' LYS . 8.9 mtpm? -51.0 -44.48 60.96 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.846 0.858 . . . . 75.129999999999995 112.335 176.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -67.4 -40.18 85.59 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.363 0.665 . . . . 71.439999999999998 111.655 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.33 69.53 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.323 0.649 . . . . 71.400000000000006 112.3 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.473 HG21 ' HA ' ' B' ' 15' ' ' ILE . 73.5 p -95.78 -7.31 37.48 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 123.964 0.906 . . . . 74.450000000000003 112.465 -176.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt 72.94 18.05 4.09 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 125.386 1.474 . . . . 73.200000000000003 111.681 177.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 mp -70.4 109.64 4.87 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.253 1.021 . . . . 74.319999999999993 110.224 172.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -29.99 66.84 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.926 0.49 . . . . 74.030000000000001 111.028 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.9 144.88 49.5 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.113 0.965 . . . . 74.430000000000007 111.619 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.02 -23.77 67.46 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.151 0.981 . . . . 75.010000000000005 110.968 171.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -53.19 -41.23 65.06 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.518 1.127 . . . . 75.129999999999995 112.251 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.56 -48.74 66.06 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.202 0.601 . . . . 73.310000000000002 109.588 173.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -55.21 -35.95 65.43 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.184 0.993 . . . . 74.140000000000001 113.412 -177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -66.12 -33.12 75.05 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 118.327 0.512 . . . . 73.219999999999999 111.95 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -72.79 -43.61 62.57 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.139 0.575 . . . . 74.409999999999997 110.471 173.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . 0.552 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -65.02 -60.68 6.55 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-N 116.259 -0.428 . . . . 62.520000000000003 113.324 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 62.2 tp -53.56 -35.07 60.37 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.103 0.961 . . . . 75.329999999999998 112.379 170.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.46 -33.41 84.61 Favored Glycine 0 CA--C 1.533 1.162 0 N-CA-C 112.34 -0.304 . . . . 75.030000000000001 112.34 176.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' TRP . . . . . 0.547 ' HB3' ' HB3' ' B' ' 12' ' ' ALA . 35.9 t-105 -77.49 -33.8 54.4 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.475 0.71 . . . . 72.549999999999997 111.675 173.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.645 ' HB3' HG23 ' B' ' 55' ' ' VAL . 8.7 mp -60.0 -34.55 73.49 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.244 0.618 . . . . 74.239999999999995 111.548 171.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 93.9 mt -77.51 -34.59 54.05 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.296 0.638 . . . . 75.510000000000005 111.03 171.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.671 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -55.28 -47.94 74.76 Favored 'General case' 0 N--CA 1.499 2.016 0 C-N-CA 124.385 1.074 . . . . 74.439999999999998 111.931 -178.2 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -95.59 -0.32 52.03 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 111.948 0.351 . . . . 71.310000000000002 111.948 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 58.38 42.05 22.02 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.88 0.872 . . . . 64.230000000000004 111.362 -173.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -71.33 -34.91 70.96 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.668 1.187 . . . . 73.420000000000002 110.741 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.645 HG23 ' HB3' ' B' ' 49' ' ' LEU . 15.7 m -133.64 178.53 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 CA-C-O 121.581 0.705 . . . . 75.209999999999994 112.036 -173.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -130.58 136.75 57.71 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 C-N-CA 124.818 1.247 . . . . 71.420000000000002 109.967 172.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 66.6 p -105.6 155.57 19.09 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.422 0.689 . . . . 64.530000000000001 110.459 -178.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 68.3 m -140.79 143.6 34.96 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.838 0.855 . . . . 74.230000000000004 110.318 -177.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -97.67 103.76 15.72 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.56 -0.904 . . . . 75.129999999999995 108.56 174.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 86.0 t -107.94 102.04 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 108.662 -0.866 . . . . 63.310000000000002 108.662 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 44.45 43.69 6.43 Favored 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 125.311 1.444 . . . . 72.219999999999999 113.448 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.2 -25.29 28.28 Favored Glycine 0 CA--C 1.542 1.764 0 N-CA-C 115.239 0.855 . . . . 74.030000000000001 115.239 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -78.56 136.23 37.49 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 117.708 0.754 . . . . 74.340000000000003 112.067 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 69.2 mt -83.24 95.02 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.289 0 N-CA-C 109.801 -0.444 . . . . 71.150000000000006 109.801 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' PHE . . . . . 0.46 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 65.6 t80 -92.75 115.11 27.81 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.256 1.022 . . . . 74.120000000000005 110.725 178.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 25.7 t -111.04 142.61 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 123.46 0.704 . . . . 73.329999999999998 110.964 -174.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -152.78 152.13 31.26 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 122.73 0.412 . . . . 73.209999999999994 110.745 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 44.8 mt -62.21 151.41 36.21 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 112.357 0.503 . . . . 62.32 112.357 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 108.47 -0.937 . . . . 51.310000000000002 108.47 167.143 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.526 ' HB2' ' HG1' ' B' ' 57' ' ' THR . 83.0 mt . . . . . 0 CA--C 1.558 1.276 0 N-CA-C 111.742 0.275 . . . . 65.549999999999997 111.742 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.531 ' HG2' ' HZ3' ' A' ' 48' ' ' TRP . 27.5 ttmt -70.52 -30.6 67.4 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 122.877 0.471 . . . . 75.409999999999997 110.812 172.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -67.45 -44.3 79.01 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.231 0.613 . . . . 74.109999999999999 112.435 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.27 -28.21 67.0 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 111.534 0.198 . . . . 74.299999999999997 111.534 176.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.29 98.63 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.923 0.489 . . . . 64.120000000000005 111.102 174.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.81 -38.78 49.14 Favored Glycine 0 CA--C 1.536 1.385 0 CA-C-N 115.638 -0.71 . . . . 74.25 114.006 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.35 92.09 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.564 0.746 . . . . 74.310000000000002 111.893 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.505 HD11 ' HB3' ' A' ' 41' ' ' ASP . 90.1 mt -69.89 -38.2 76.28 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.668 -0.696 . . . . 75.030000000000001 111.064 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.99 -34.4 69.94 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.996 0.518 . . . . 75.0 112.251 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.75 -55.28 31.31 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-N 115.59 -0.732 . . . . 70.299999999999997 113.467 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.58 -31.09 66.56 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.068 0.547 . . . . 72.109999999999999 112.407 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.2 mt -64.0 -49.11 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 C-N-CA 123.17 0.588 . . . . 73.239999999999995 110.268 174.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -64.11 -40.75 96.88 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-N 115.939 -0.573 . . . . 75.109999999999999 111.614 178.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.17 -31.37 72.52 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.289 0.636 . . . . 75.430000000000007 111.653 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.31 -33.69 73.55 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.37 0.668 . . . . 54.130000000000003 111.14 172.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.4 mt -80.3 -23.09 40.94 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.945 0.898 . . . . 64.340000000000003 112.315 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.486 ' HA ' HD13 ' A' ' 68' ' ' LEU . 23.1 t-20 -68.58 120.42 14.57 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.02 0.528 . . . . 63.509999999999998 111.394 -177.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.88 -28.99 13.05 Favored Glycine 0 CA--C 1.538 1.506 0 CA-C-N 115.754 -0.657 . . . . 72.0 112.809 -170.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.52 HG23 ' H ' ' A' ' 24' ' ' GLY . 11.7 m -88.67 154.15 20.53 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.02 0.928 . . . . 65.209999999999994 110.727 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -84.83 -8.25 58.87 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.486 0.714 . . . . 70.310000000000002 112.593 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.52 ' H ' HG23 ' A' ' 22' ' ' THR . . . 146.83 143.34 3.86 Favored Glycine 0 C--N 1.346 1.105 0 N-CA-C 113.492 0.157 . . . . 73.439999999999998 113.492 -177.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.473 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 93.9 mt -136.0 158.63 43.94 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.343 1.057 . . . . 73.319999999999993 110.256 177.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.5 p -86.77 172.36 10.21 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.32 0.248 . . . . 73.439999999999998 110.473 171.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -51.46 -45.38 62.7 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.764 0.826 . . . . 72.409999999999997 111.882 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.584 ' HB3' ' HZ2' ' A' ' 28' ' ' LYS . 7.9 mtpm? -63.42 -39.34 94.22 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.91 0.884 . . . . 73.129999999999995 112.954 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.473 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 7.2 mm-40 -70.56 -37.28 73.97 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.199 0.523 . . . . 72.349999999999994 111.38 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.3 mt -68.21 -39.69 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 115.487 -0.779 . . . . 75.200000000000003 111.202 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -53.56 -39.56 64.86 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 123.521 0.728 . . . . 75.439999999999998 112.1 175.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -70.5 -44.15 68.21 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 122.965 0.506 . . . . 64.450000000000003 111.583 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.8 -23.01 61.49 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.751 1.019 . . . . 74.25 113.751 -174.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.438 ' OG1' ' HG ' ' A' ' 36' ' ' LEU . 75.9 p -121.76 -9.38 8.86 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 113.092 0.775 . . . . 73.030000000000001 113.092 -177.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? 52.86 40.52 30.92 Favored 'General case' 0 N--CA 1.504 2.262 0 C-N-CA 125.777 1.631 . . . . 73.530000000000001 113.271 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.438 ' HG ' ' OG1' ' A' ' 34' ' ' THR . 83.4 mt -56.14 126.58 26.67 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 115.583 -0.735 . . . . 71.329999999999998 110.786 177.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.585 ' HD3' ' H ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -63.57 -32.6 74.11 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.011 0.925 . . . . 71.099999999999994 111.209 -169.419 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.41 162.67 34.77 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.43 1.092 . . . . 72.519999999999996 109.872 169.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.02 -24.36 66.0 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.911 0.485 . . . . 74.230000000000004 110.333 169.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -51.94 -38.07 55.12 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.183 0.993 . . . . 74.310000000000002 111.308 171.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.505 ' HB3' HD11 ' A' ' 11' ' ' LEU . 44.3 m-20 -67.37 -38.04 84.13 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.711 0.804 . . . . 64.340000000000003 111.414 175.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -62.04 -43.75 98.17 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.484 0.714 . . . . 73.239999999999995 112.034 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -65.3 -36.13 83.14 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 122.979 0.512 . . . . 74.329999999999998 112.21 -174.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -71.99 -37.97 69.77 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 122.984 0.514 . . . . 73.140000000000001 111.076 175.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.59 -45.99 86.74 Favored Glycine 0 CA--C 1.539 1.581 0 CA-C-N 116.549 -0.296 . . . . 74.030000000000001 112.884 175.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.7 tp -64.59 -31.02 72.05 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.674 1.19 . . . . 72.25 111.504 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.2 -33.06 85.89 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-N 116.116 -0.493 . . . . 62.340000000000003 112.307 176.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.531 ' HZ3' ' HG2' ' A' ' 5' ' ' LYS . 8.7 t-105 -77.9 -32.27 51.68 Favored 'General case' 0 CA--C 1.56 1.339 0 C-N-CA 123.931 0.893 . . . . 73.349999999999994 111.558 175.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' HB3' HG21 ' A' ' 55' ' ' VAL . 7.7 mp -58.09 -46.01 86.22 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.156 0.582 . . . . 71.099999999999994 110.933 170.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.4 mt -70.37 -33.59 71.61 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.038 0.935 . . . . 74.420000000000002 111.513 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.525 ' HD2' ' HA ' ' B' ' 51' ' ' ARG . 28.4 ttt180 -54.97 -49.86 70.37 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.967 0.907 . . . . 71.540000000000006 112.579 177.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.486 ' HB2' ' HG3' ' A' ' 54' ' ' LYS . 33.3 mt-10 -94.74 -6.99 41.84 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.58 -0.736 . . . . 72.209999999999994 111.099 -177.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 58.95 36.03 24.34 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.769 1.228 . . . . 54.219999999999999 111.411 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.486 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 48.5 mtmt -72.69 -18.13 61.57 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.057 -0.974 . . . . 75.219999999999999 111.134 177.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.468 HG21 ' HB3' ' A' ' 49' ' ' LEU . 20.6 m -129.53 168.55 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.606 0.762 . . . . 72.099999999999994 110.584 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.593 HG11 HG22 ' A' ' 69' ' ' VAL . 6.0 m -130.43 139.28 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.77 1.228 . . . . 74.430000000000007 108.818 168.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.631 HG23 HG13 ' A' ' 66' ' ' VAL . 41.5 p -109.58 132.86 53.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.227 0.611 . . . . 63.119999999999997 111.445 -169.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.468 ' HB2' ' HD2' ' A' ' 65' ' ' PHE . 44.3 m -115.71 137.97 51.57 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.114 0.966 . . . . 71.319999999999993 109.505 176.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -96.08 101.33 12.98 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.985 -0.746 . . . . 73.129999999999995 108.985 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.404 HG12 ' HG3' ' A' ' 61' ' ' GLU . 81.7 t -121.66 114.03 41.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.099 0.959 . . . . 73.430000000000007 110.251 -169.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.404 ' HG3' HG12 ' A' ' 60' ' ' VAL . 27.0 mt-10 60.56 30.77 19.99 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.978 1.311 . . . . 71.239999999999995 112.693 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.66 0.0 46.12 Favored Glycine 0 CA--C 1.543 1.805 0 N-CA-C 114.744 0.658 . . . . 54.100000000000001 114.744 -173.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -98.75 155.04 17.55 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.912 0.885 . . . . 64.420000000000002 111.146 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.8 mt -74.45 104.69 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 CA-C-N 115.238 -0.892 . . . . 73.239999999999995 110.52 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.468 ' HD2' ' HB2' ' A' ' 58' ' ' SER . 87.9 t80 -109.2 131.36 55.14 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.72 -0.845 . . . . 72.25 108.72 168.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.631 HG13 HG23 ' A' ' 57' ' ' THR . 19.6 m -125.77 159.11 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.515 0.726 . . . . 74.109999999999999 110.182 -179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.552 ' HG3' HG22 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -152.79 167.97 27.26 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.776 0.83 . . . . 73.230000000000004 109.484 174.737 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 20' ' ' ASN . 32.4 mt -84.62 164.08 18.89 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 118.785 0.721 . . . . 73.120000000000005 112.284 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.593 HG22 HG11 ' A' ' 56' ' ' VAL . 55.2 t . . . . . 0 CA--C 1.55 0.955 0 CA-C-N 114.954 -1.021 . . . . 73.030000000000001 109.874 174.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 20.0 ptm . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.788 0.327 . . . . 74.340000000000003 110.521 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.5 mp -53.54 -30.23 40.69 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.589 0.756 . . . . 75.219999999999999 112.382 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -64.93 -38.61 91.55 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 123.049 0.54 . . . . 73.109999999999999 112.052 -177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -65.94 -51.12 61.31 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.047 0.539 . . . . 73.430000000000007 111.263 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -23.27 60.38 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 112.236 0.458 . . . . 74.230000000000004 112.236 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.84 94.74 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 122.942 0.497 . . . . 74.519999999999996 111.104 170.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.98 -32.3 76.84 Favored Glycine 0 CA--C 1.537 1.45 0 CA-C-N 115.72 -0.673 . . . . 75.510000000000005 113.569 174.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.19 -43.2 78.64 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.223 0.609 . . . . 75.239999999999995 111.271 175.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.98 -36.1 82.38 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.334 0.654 . . . . 73.400000000000006 110.781 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.3 -46.18 91.38 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.678 0.791 . . . . 43.43 112.929 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.8 -53.04 38.54 Favored Glycine 0 C--N 1.347 1.14 0 O-C-N 124.128 0.892 . . . . 73.230000000000004 113.913 -175.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -65.0 -37.79 88.81 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 123.486 0.714 . . . . 72.439999999999998 112.544 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.686 HG21 HG22 ' B' ' 30' ' ' ILE . 77.3 mt -66.47 -43.47 90.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 C-N-CA 123.701 0.8 . . . . 72.200000000000003 111.838 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -61.97 -43.08 99.6 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.623 0.769 . . . . 75.129999999999995 111.523 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -64.46 -30.38 71.42 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.423 0.689 . . . . 73.109999999999999 112.434 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -33.26 74.59 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.197 0.522 . . . . 73.120000000000005 111.308 172.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.544 HD21 HD11 ' B' ' 30' ' ' ILE . 88.2 mt -87.43 -20.45 26.61 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.992 0.917 . . . . 73.519999999999996 112.563 177.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -70.46 124.65 24.72 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.89 0.476 . . . . 74.349999999999994 111.098 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.77 4.79 88.36 Favored Glycine 0 CA--C 1.54 1.594 0 CA-C-N 116.095 -0.502 . . . . 72.439999999999998 113.296 -173.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.496 HG22 ' H ' ' B' ' 24' ' ' GLY . 29.6 m -122.89 147.63 46.36 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.59 1.156 . . . . 73.109999999999999 109.745 -176.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.17 -22.28 62.06 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.789 0.436 . . . . 73.219999999999999 111.96 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.496 ' H ' HG22 ' B' ' 22' ' ' THR . . . 148.52 147.53 4.55 Favored Glycine 0 C--N 1.348 1.236 0 CA-C-N 116.225 -0.443 . . . . 73.319999999999993 112.061 -174.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.459 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 87.3 mt -138.95 159.01 43.16 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.789 0.835 . . . . 74.5 111.02 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 29.9 p -82.37 168.91 17.04 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 116.066 -0.516 . . . . 74.019999999999996 110.536 172.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -60.7 -31.64 70.9 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.39 0.276 . . . . 72.109999999999999 111.666 175.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -63.82 -48.9 74.97 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.645 0.778 . . . . 73.319999999999993 111.585 176.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . 0.459 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 80.4 mm-40 -63.63 -47.29 81.95 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 115.568 -0.742 . . . . 64.430000000000007 111.506 -178.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.686 HG22 HG21 ' B' ' 15' ' ' ILE . 83.9 mt -68.08 -49.46 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 115.317 -0.856 . . . . 73.150000000000006 111.808 -177.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -59.46 -36.71 76.48 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 122.932 0.493 . . . . 72.129999999999995 110.958 -175.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -68.64 -47.89 65.44 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.779 0.832 . . . . 74.310000000000002 110.688 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.29 -31.59 71.42 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.42 0.688 . . . . 62.149999999999999 112.384 -178.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 80.8 p -93.18 -10.91 34.12 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.442 1.097 . . . . 73.209999999999994 112.107 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt 71.98 19.75 4.59 Favored 'General case' 0 CA--C 1.569 1.675 0 C-N-CA 124.956 1.303 . . . . 74.099999999999994 111.5 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' B' ' 41' ' ' ASP . 96.7 mt -75.94 154.71 35.73 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.474 0.71 . . . . 70.319999999999993 109.963 173.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -117.94 -40.05 3.03 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 112.514 0.561 . . . . 71.430000000000007 112.514 -170.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.21 150.11 20.61 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.635 0.774 . . . . 72.519999999999996 111.105 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -58.78 -34.92 71.99 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.515 1.126 . . . . 73.040000000000006 111.088 171.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -60.55 -37.06 80.03 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.036 1.334 . . . . 74.5 111.805 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . 0.415 ' HB3' HD21 ' B' ' 36' ' ' LEU . 65.5 m-20 -61.29 -38.44 86.8 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.335 0.654 . . . . 72.129999999999995 110.941 178.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -70.94 -38.29 72.87 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.348 -0.842 . . . . 73.209999999999994 111.4 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -72.35 -44.14 63.05 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.333 0.494 . . . . 72.150000000000006 112.333 -175.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 mp -66.75 -31.55 72.28 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.147 0.579 . . . . 74.140000000000001 111.1 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . 0.561 ' HA3' HD11 ' B' ' 15' ' ' ILE . . . -74.38 -50.48 9.89 Favored Glycine 0 CA--C 1.538 1.503 0 CA-C-N 116.144 -0.48 . . . . 60.420000000000002 113.256 173.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 55.5 tp -64.37 -31.41 72.6 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.977 0.911 . . . . 72.340000000000003 111.722 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.98 -31.21 71.77 Favored Glycine 0 CA--C 1.535 1.293 0 CA-C-N 115.869 -0.605 . . . . 71.25 112.802 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' TRP . . . . . 0.483 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 7.1 t-105 -77.0 -34.12 57.53 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-O 121.583 0.706 . . . . 72.420000000000002 111.185 174.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.469 HD23 HG12 ' B' ' 55' ' ' VAL . 6.6 mp -66.0 -30.67 71.26 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.873 -0.517 . . . . 74.439999999999998 110.746 174.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.56 -36.13 57.8 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.124 0.97 . . . . 73.219999999999999 111.253 172.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.525 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -64.51 -35.71 81.84 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 122.526 0.33 . . . . 73.420000000000002 111.864 -178.755 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -95.89 0.65 52.28 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.193 0.597 . . . . 72.019999999999996 112.401 175.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 63.39 15.06 8.42 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 124.381 1.072 . . . . 54.049999999999997 112.166 176.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -84.22 6.02 24.31 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.906 0.882 . . . . 71.209999999999994 112.403 -172.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.469 HG12 HD23 ' B' ' 49' ' ' LEU . 29.5 m -137.38 171.69 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.658 0.783 . . . . 73.120000000000005 110.511 165.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.583 HG11 ' HZ2' ' B' ' 67' ' ' LYS . 7.4 p -143.42 144.62 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 114.742 -1.117 . . . . 74.230000000000004 108.642 169.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' THR . . . . . 0.526 ' HG1' ' HB2' ' A' ' 4' ' ' LEU . 74.5 p -100.3 156.21 17.36 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.082 0.553 . . . . 72.209999999999994 111.386 -168.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 47.0 t -146.82 160.46 42.25 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.908 0.883 . . . . 73.400000000000006 110.011 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -107.51 117.82 35.09 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.769 0.828 . . . . 72.140000000000001 108.833 174.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 40.5 t -114.91 107.87 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 122.889 0.476 . . . . 75.299999999999997 110.368 170.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 54.5 33.27 18.5 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 124.501 1.121 . . . . 73.129999999999995 112.885 174.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.88 13.43 60.83 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 115.934 -0.576 . . . . 65.209999999999994 114.023 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -115.36 146.57 41.44 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.502 0.721 . . . . 71.420000000000002 111.741 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 62.9 mt -74.93 108.28 6.41 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 C-N-CA 123.065 0.546 . . . . 71.129999999999995 110.387 174.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -115.5 104.16 11.47 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.63 1.172 . . . . 73.519999999999996 109.412 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.486 HG12 HG21 ' B' ' 57' ' ' THR . 34.7 m -109.71 156.51 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 123.078 0.551 . . . . 74.319999999999993 111.704 -176.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.583 ' HZ2' HG11 ' B' ' 56' ' ' VAL . 0.0 OUTLIER -158.66 154.93 27.24 Favored 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 122.924 0.49 . . . . 73.349999999999994 111.812 -174.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.449 HD22 HG11 ' B' ' 55' ' ' VAL . 39.8 mt -70.68 81.0 0.6 Allowed 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 112.72 0.637 . . . . 73.329999999999998 112.72 -174.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 23.8 t . . . . . 0 CA--C 1.58 2.112 0 C-N-CA 124.303 1.041 . . . . 65.549999999999997 112.38 176.32 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tm? . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 110.291 -0.262 . . . . 74.129999999999995 110.291 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -59.25 -37.43 77.57 Favored 'General case' 0 CA--C 1.559 1.293 0 N-CA-C 113.031 0.752 . . . . 75.239999999999995 113.031 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -77.49 -43.76 31.1 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.571 0.749 . . . . 75.219999999999999 111.804 -175.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -70.02 -41.31 74.45 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 111.664 0.246 . . . . 64.200000000000003 111.664 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.69 -32.0 73.47 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.258 0.623 . . . . 73.150000000000006 110.712 174.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.14 -32.0 66.02 Favored Glycine 0 CA--C 1.541 1.676 0 CA-C-N 115.679 -0.691 . . . . 74.319999999999993 113.791 174.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.48 -45.46 65.64 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.413 0.685 . . . . 75.200000000000003 111.067 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.34 -37.96 85.17 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.768 0.827 . . . . 74.430000000000007 110.638 172.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.72 92.53 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.572 0.749 . . . . 75.349999999999994 112.93 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.69 -47.41 71.02 Favored Glycine 0 CA--C 1.536 1.401 0 O-C-N 123.832 0.708 . . . . 71.329999999999998 114.282 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.432 ' NE2' HD22 ' A' ' 36' ' ' LEU . 11.1 pt20 -74.51 -38.47 62.81 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.423 0.689 . . . . 73.430000000000007 112.789 -178.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.457 HD12 ' HA3' ' A' ' 45' ' ' GLY . 89.1 mt -69.37 -43.1 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 C-N-CA 122.63 0.372 . . . . 64.510000000000005 110.992 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -55.81 -45.25 78.33 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.722 0.809 . . . . 71.430000000000007 110.408 171.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -32.54 74.29 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 123.949 0.9 . . . . 73.129999999999995 111.271 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.77 -35.17 78.2 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.435 0.694 . . . . 73.420000000000002 111.04 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.4 mt -82.75 -16.03 49.55 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 123.703 0.801 . . . . 72.140000000000001 112.03 175.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -70.96 130.59 41.99 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 109.521 -0.548 . . . . 71.409999999999997 109.521 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.84 -38.62 3.16 Favored Glycine 0 CA--C 1.539 1.546 0 CA-C-N 116.246 -0.434 . . . . 74.140000000000001 112.825 -172.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -88.64 149.01 23.75 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.763 0.825 . . . . 74.340000000000003 110.641 -177.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.31 1.06 55.95 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.045 0.538 . . . . 70.230000000000004 111.153 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.551 ' HA2' ' HB3' ' A' ' 67' ' ' LYS . . . 156.07 139.33 2.73 Favored Glycine 0 C--N 1.35 1.33 0 CA-C-O 120.076 -0.291 . . . . 73.329999999999998 112.683 -179.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.9 tp -151.63 150.49 30.33 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-N 117.183 0.492 . . . . 75.430000000000007 110.392 -177.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 79.5 p -88.53 156.61 18.98 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 122.894 0.478 . . . . 75.420000000000002 111.459 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -50.95 -40.75 58.27 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 124.885 1.274 . . . . 72.140000000000001 113.926 -174.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -69.73 -36.85 76.2 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.863 0.865 . . . . 65.239999999999995 112.517 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -77.81 -30.59 51.26 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.984 0.514 . . . . 73.129999999999995 111.091 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.5 mt -68.56 -45.46 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 123.364 0.666 . . . . 74.329999999999998 111.197 175.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -65.46 -25.5 67.52 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 122.527 0.331 . . . . 74.299999999999997 111.74 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -67.01 -50.25 62.72 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.078 0.551 . . . . 74.340000000000003 110.773 169.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.77 -34.14 77.49 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.765 0.826 . . . . 73.340000000000003 112.483 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.8 p -96.84 -7.19 34.18 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.37 1.068 . . . . 73.310000000000002 112.58 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.513 ' HB3' ' HZ1' ' A' ' 35' ' ' LYS . 4.0 mmmp? 65.88 30.31 9.96 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 124.752 1.221 . . . . 74.340000000000003 112.597 176.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.432 HD22 ' NE2' ' A' ' 14' ' ' GLN . 91.5 mt -75.91 129.6 37.2 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.237 0.615 . . . . 63.420000000000002 110.359 176.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -67.97 -49.52 61.18 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.342 0.657 . . . . 71.120000000000005 109.683 174.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.9 149.43 37.21 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.466 0.706 . . . . 63.229999999999997 112.023 -175.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.85 -22.08 66.51 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.378 1.071 . . . . 74.420000000000002 111.531 170.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -55.87 -37.55 68.96 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.733 0.813 . . . . 73.409999999999997 112.195 173.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.46 -34.15 75.44 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.163 0.585 . . . . 61.039999999999999 110.799 174.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -68.58 -33.25 73.74 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.812 -0.631 . . . . 70.219999999999999 111.28 174.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -72.28 -38.85 68.69 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 118.11 0.414 . . . . 73.040000000000006 111.973 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.36 -40.58 73.96 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 122.966 0.507 . . . . 72.239999999999995 111.105 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.458 ' O ' HD12 ' A' ' 49' ' ' LEU . . . -66.36 -55.53 17.9 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-N 116.151 -0.477 . . . . 75.129999999999995 113.171 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.2 -33.98 74.34 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 124.14 0.976 . . . . 72.109999999999999 111.884 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.36 -33.69 87.93 Favored Glycine 0 N--CA 1.474 1.217 0 N-CA-C 112.147 -0.381 . . . . 73.120000000000005 112.147 175.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.499 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 51.2 t-105 -72.19 -39.4 68.65 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 122.943 0.497 . . . . 65.25 110.536 172.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.626 HD23 HG12 ' A' ' 55' ' ' VAL . 6.9 mp -57.05 -37.12 71.36 Favored 'General case' 0 N--CA 1.5 2.025 0 C-N-CA 123.409 0.683 . . . . 74.329999999999998 112.284 174.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.91 -42.96 80.32 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.704 0.802 . . . . 73.519999999999996 111.722 177.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.88 ' HB2' ' HB3' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -73.46 -22.69 60.11 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 120.561 0.22 . . . . 71.430000000000007 111.563 178.511 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' HB3' ' HE2' ' A' ' 54' ' ' LYS . 9.7 mm-40 -77.42 -22.16 51.98 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.056 0.943 . . . . 73.219999999999999 111.744 173.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.4 t0 64.61 22.27 12.6 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 124.288 1.035 . . . . 54.25 111.148 -177.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 52' ' ' GLU . 53.8 mtmt -95.26 0.62 54.04 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.141 0.576 . . . . 73.409999999999997 112.431 -177.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.626 HG12 HD23 ' A' ' 49' ' ' LEU . 33.2 m -136.89 170.8 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 CA-C-O 121.987 0.898 . . . . 74.109999999999999 113.357 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.494 HG11 ' HE3' ' A' ' 67' ' ' LYS . 4.7 p -134.07 137.32 52.26 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 CA-C-N 113.812 -1.54 . . . . 71.540000000000006 109.681 165.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 82.6 p -103.56 156.84 17.47 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.593 0.757 . . . . 72.239999999999995 110.912 -175.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.2 t -153.95 171.01 19.68 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.876 0.87 . . . . 72.439999999999998 110.191 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -120.52 125.34 47.6 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.975 0.51 . . . . 73.219999999999999 111.101 176.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -110.25 107.39 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 109.087 -0.708 . . . . 75.099999999999994 109.087 167.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 52.45 48.44 22.6 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 125.372 1.469 . . . . 64.239999999999995 113.721 173.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.37 -3.63 86.88 Favored Glycine 0 C--N 1.352 1.429 0 N-CA-C 114.914 0.726 . . . . 64.030000000000001 114.914 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -117.16 152.02 35.64 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 117.626 0.713 . . . . 70.140000000000001 111.246 -175.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.1 mt -77.89 118.18 24.4 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.152 0 C-N-CA 123.054 0.542 . . . . 74.420000000000002 111.673 -173.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -117.44 110.89 18.56 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.09 1.356 . . . . 74.299999999999997 108.941 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.0 m -120.26 159.6 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.765 -0.584 . . . . 74.340000000000003 112.149 -175.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.551 ' HB3' ' HA2' ' A' ' 24' ' ' GLY . 0.2 OUTLIER -154.42 167.59 29.5 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.45 0.7 . . . . 74.239999999999995 109.805 178.537 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.493 HD21 HG11 ' A' ' 55' ' ' VAL . 58.8 mt -71.01 171.32 11.05 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.619 0.247 . . . . 71.319999999999993 110.934 173.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 N--CA 1.484 1.262 0 N-CA-C 109.202 -0.666 . . . . 73.239999999999995 109.202 172.436 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 72.2 mtm . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 121.455 0.645 . . . . 74.319999999999993 112.337 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -63.8 -13.93 48.54 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.919 0.888 . . . . 73.340000000000003 112.18 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -62.72 -42.33 99.6 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.201 1.0 . . . . 74.25 110.859 171.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -62.54 -41.59 98.97 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.096 -0.956 . . . . 71.510000000000005 111.06 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -55.06 -55.17 33.97 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.604 -0.725 . . . . 75.400000000000006 111.255 172.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.73 -34.42 65.14 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.807 0.843 . . . . 71.200000000000003 112.239 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.13 -40.29 42.64 Favored Glycine 0 CA--C 1.541 1.68 0 CA-C-N 115.569 -0.741 . . . . 75.319999999999993 113.471 176.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.89 83.82 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.646 0.778 . . . . 74.340000000000003 111.793 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 70.8 mt -70.5 -38.48 74.34 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.925 0.89 . . . . 54.530000000000001 110.465 175.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.01 -42.64 80.68 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.512 0.725 . . . . 64.219999999999999 112.685 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.32 -55.76 27.4 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-N 115.707 -0.678 . . . . 71.319999999999993 113.664 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -69.4 -36.92 77.23 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 112.737 0.643 . . . . 73.5 112.737 -175.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.525 ' HA ' HG21 ' B' ' 34' ' ' THR . 71.2 mt -64.02 -46.46 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 123.172 0.589 . . . . 75.109999999999999 111.162 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -60.84 -46.38 90.78 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 122.809 0.444 . . . . 75.030000000000001 111.23 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.65 -27.33 69.15 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.695 0.798 . . . . 71.430000000000007 112.413 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.22 -34.01 77.04 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.047 0.539 . . . . 71.150000000000006 111.828 174.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.565 HD21 HG23 ' B' ' 66' ' ' VAL . 8.6 mp -89.73 -15.6 32.13 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.555 0.742 . . . . 73.430000000000007 111.848 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -64.76 119.37 10.48 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.51 0.324 . . . . 71.239999999999995 110.673 -178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.18 -38.09 3.49 Favored Glycine 0 CA--C 1.537 1.457 0 CA-C-N 116.461 -0.336 . . . . 74.209999999999994 113.622 -173.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.9 p -84.96 171.43 12.14 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 117.293 0.547 . . . . 61.329999999999998 111.827 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -87.74 5.39 40.16 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.526 0.73 . . . . 74.120000000000005 111.356 173.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.485 ' HA3' ' HB3' ' B' ' 67' ' ' LYS . . . 124.03 154.72 8.99 Favored Glycine 0 C--N 1.353 1.515 0 C-N-CA 123.126 0.393 . . . . 74.0 113.677 -178.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 96.4 mt -133.83 156.19 48.48 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.82 0.848 . . . . 75.349999999999994 110.645 -177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 70.7 p -85.55 159.48 19.88 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.87 0.468 . . . . 71.109999999999999 110.273 172.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -53.69 -36.38 62.12 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.923 0.889 . . . . 74.420000000000002 112.632 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -57.18 -50.76 71.83 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.916 0.886 . . . . 72.530000000000001 112.362 172.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -67.49 -37.58 83.06 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.742 0.817 . . . . 75.019999999999996 111.817 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.2 mt -71.77 -45.33 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.603 0.761 . . . . 72.349999999999994 111.328 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.654 ' HG3' ' HB2' ' B' ' 36' ' ' LEU . 62.2 tttm -59.42 -44.12 92.94 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.57 0.748 . . . . 71.129999999999995 111.691 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -67.25 -44.01 80.48 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 122.86 0.464 . . . . 71.200000000000003 111.557 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.37 -49.7 74.49 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.079 0.552 . . . . 75.129999999999995 112.177 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.525 HG21 ' HA ' ' B' ' 15' ' ' ILE . 66.9 p -85.72 -9.53 57.02 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.683 0.793 . . . . 72.120000000000005 112.3 -178.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? 64.57 58.7 1.01 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.425 1.09 . . . . 74.129999999999995 111.962 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.654 ' HB2' ' HG3' ' B' ' 31' ' ' LYS . 67.1 mt -84.3 144.23 29.01 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 115.36 -0.836 . . . . 72.510000000000005 110.755 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -75.55 -37.87 59.67 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.498 0.719 . . . . 73.209999999999994 109.832 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.49 165.46 27.18 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.855 -1.066 . . . . 70.209999999999994 110.619 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.59 -23.83 65.43 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.73 0.812 . . . . 74.430000000000007 111.58 174.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -54.77 -34.09 62.19 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.046 0.938 . . . . 74.239999999999995 112.226 172.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -64.57 -35.55 81.35 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.107 0.563 . . . . 64.299999999999997 110.983 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -68.52 -43.69 76.25 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.434 -0.348 . . . . 71.519999999999996 110.696 177.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -65.64 -43.73 88.55 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.982 0.513 . . . . 75.120000000000005 112.175 -175.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.27 -42.34 84.0 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.25 0.62 . . . . 75.25 111.437 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . 0.466 ' O ' HD11 ' B' ' 49' ' ' LEU . . . -64.41 -44.1 95.8 Favored Glycine 0 CA--C 1.538 1.489 0 CA-C-N 116.52 -0.309 . . . . 75.150000000000006 113.171 175.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.1 tp -65.07 -32.54 74.31 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 124.154 0.981 . . . . 73.409999999999997 111.625 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.32 -31.91 80.41 Favored Glycine 0 N--CA 1.475 1.272 0 CA-C-N 115.863 -0.608 . . . . 75.420000000000002 112.567 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' TRP . . . . . 0.441 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 7.9 t-105 -76.72 -32.11 57.6 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 123.284 0.633 . . . . 75.430000000000007 110.611 175.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.513 ' HB3' HG23 ' B' ' 55' ' ' VAL . 5.9 mp -66.31 -30.1 70.45 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.086 0.554 . . . . 74.400000000000006 111.329 171.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.18 -38.18 75.32 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.779 0.832 . . . . 75.349999999999994 112.714 175.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.88 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 16.5 ptm180 -69.06 -28.91 66.95 Favored 'General case' 0 N--CA 1.5 2.032 0 CA-C-N 118.386 0.539 . . . . 74.25 111.764 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -90.8 -18.41 24.95 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.103 0.561 . . . . 74.319999999999993 110.622 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 30.1 t70 66.02 25.01 10.99 Favored 'General case' 0 CA--C 1.568 1.659 0 CA-C-O 122.363 1.077 . . . . 73.439999999999998 110.939 176.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -78.23 -10.84 59.83 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 115.519 -0.764 . . . . 74.299999999999997 112.038 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.513 HG23 ' HB3' ' B' ' 49' ' ' LEU . 33.2 m -133.08 164.36 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 CA-C-O 121.321 0.582 . . . . 73.219999999999999 111.612 178.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 6.6 p -135.35 143.99 35.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 C-N-CA 124.233 1.013 . . . . 63.420000000000002 109.401 174.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 65.6 p -100.58 142.83 31.51 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.369 0.667 . . . . 74.209999999999994 110.827 -172.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 59.9 m -142.3 153.86 44.24 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.204 1.002 . . . . 60.200000000000003 109.929 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -103.47 104.95 15.09 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.049 0.539 . . . . 74.040000000000006 110.044 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 55.2 t -105.24 109.34 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 109.464 -0.569 . . . . 65.019999999999996 109.464 170.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 57.48 38.68 28.21 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.152 1.381 . . . . 74.219999999999999 112.432 174.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.04 -28.29 8.95 Favored Glycine 0 CA--C 1.544 1.884 0 N-CA-C 114.849 0.7 . . . . 65.239999999999995 114.849 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -92.7 169.29 10.61 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 113.596 0.962 . . . . 74.010000000000005 113.596 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 63.3 mt -81.2 127.37 39.61 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 CA-C-N 114.86 -1.063 . . . . 75.239999999999995 111.788 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -126.74 111.52 14.34 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.227 1.411 . . . . 74.510000000000005 107.846 173.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.565 HG23 HD21 ' B' ' 19' ' ' LEU . 31.9 m -112.3 153.47 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-O 120.825 0.345 . . . . 74.109999999999999 110.916 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.485 ' HB3' ' HA3' ' B' ' 24' ' ' GLY . 21.4 pttp -150.81 152.16 33.37 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 116.077 -0.51 . . . . 74.420000000000002 111.357 -178.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 31.1 mt -69.37 129.45 39.81 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 116.099 -0.5 . . . . 74.439999999999998 111.491 -175.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 49.6 t . . . . . 0 CA--C 1.549 0.917 0 N-CA-C 109.257 -0.646 . . . . 71.150000000000006 109.257 171.3 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.422 HD12 HG22 ' B' ' 64' ' ' ILE . 8.8 tt . . . . . 0 N--CA 1.488 1.455 0 N-CA-C 111.659 0.244 . . . . 74.400000000000006 111.659 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.53 ' HZ3' ' HH2' ' A' ' 48' ' ' TRP . 63.6 tttm -55.96 -44.26 78.29 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.518 1.127 . . . . 72.209999999999994 112.495 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -71.81 -47.64 51.95 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.148 0.579 . . . . 64.430000000000007 111.757 -175.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.7 ' HZ2' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -73.52 -20.98 60.52 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 116.33 -0.395 . . . . 54.530000000000001 111.722 -179.493 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.83 -38.07 89.27 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.123 0.569 . . . . 73.530000000000001 110.772 170.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.5 -35.47 81.53 Favored Glycine 0 CA--C 1.539 1.534 0 CA-C-N 115.791 -0.641 . . . . 73.030000000000001 113.8 173.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.05 80.53 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.253 0.621 . . . . 75.230000000000004 111.778 175.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.7 HD11 ' HZ2' ' A' ' 7' ' ' LYS . 75.6 mt -74.75 -32.63 62.14 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.86 0.864 . . . . 65.120000000000005 111.152 174.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.456 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -55.17 -41.28 71.66 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.619 0.768 . . . . 61.200000000000003 112.909 -178.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.37 -49.09 65.77 Favored Glycine 0 CA--C 1.534 1.249 0 CA-C-N 115.494 -0.776 . . . . 74.219999999999999 112.763 172.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -58.93 -53.4 58.84 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.907 0.883 . . . . 73.230000000000004 112.531 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.25 -39.29 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 C-N-CA 123.044 0.538 . . . . 75.519999999999996 110.551 -177.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -61.62 -43.09 99.52 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.018 0.527 . . . . 72.310000000000002 111.561 175.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.63 -23.34 67.03 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.959 0.904 . . . . 74.430000000000007 112.386 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.83 -40.71 63.12 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 122.464 0.306 . . . . 71.200000000000003 111.29 171.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.466 HD23 HG11 ' A' ' 66' ' ' VAL . 10.8 mp -82.45 -27.75 31.72 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 113.745 1.017 . . . . 75.519999999999996 113.745 -174.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -67.59 135.27 52.66 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 118.707 0.685 . . . . 70.310000000000002 112.124 -174.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.35 7.11 71.79 Favored Glycine 0 CA--C 1.54 1.625 0 CA-C-N 115.885 -0.598 . . . . 30.129999999999999 113.859 -175.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.5 m -122.02 157.61 30.98 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.289 1.036 . . . . 72.430000000000007 110.215 -175.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -69.74 -4.8 21.38 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 123.748 0.819 . . . . 73.519999999999996 112.366 175.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.407 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 112.1 155.98 13.02 Favored Glycine 0 C--N 1.343 0.926 0 C-N-CA 123.407 0.527 . . . . 73.040000000000006 111.808 -171.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.2 mt -130.9 160.01 35.74 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.138 0.494 . . . . 63.240000000000002 111.264 -176.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.1 p -86.72 165.45 16.07 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.228 -0.897 . . . . 71.329999999999998 110.158 171.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.444 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 17.3 pt20 -51.59 -43.74 62.57 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.209 0.604 . . . . 73.310000000000002 112.519 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -59.23 -47.7 84.37 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.105 0.962 . . . . 73.510000000000005 113.006 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -62.72 -42.01 99.45 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.177 0.591 . . . . 75.230000000000004 111.642 -178.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.7 mt -67.23 -38.72 81.54 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-N 115.06 -0.973 . . . . 72.239999999999995 111.379 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 27' ' ' GLN . 30.6 mtpp -56.79 -41.54 77.89 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 122.997 0.519 . . . . 73.400000000000006 111.818 175.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -68.91 -39.76 79.49 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.057 0.543 . . . . 75.230000000000004 111.68 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.84 -44.58 66.17 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 121.421 0.629 . . . . 65.5 111.803 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.8 p -82.51 -19.37 38.84 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 124.3 1.04 . . . . 63.520000000000003 112.357 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt 65.39 32.61 9.55 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.757 1.223 . . . . 74.439999999999998 111.997 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.8 mt -88.52 115.41 26.02 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.954 0.902 . . . . 74.120000000000005 110.16 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -70.41 -43.13 70.64 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.158 0.983 . . . . 75.319999999999993 110.987 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -95.39 141.92 28.38 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.031 0.532 . . . . 75.299999999999997 111.62 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -66.24 -24.55 66.61 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.522 0.729 . . . . 64.209999999999994 111.578 173.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -58.38 -36.13 73.04 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.876 0.871 . . . . 71.439999999999998 112.42 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -70.06 -36.91 75.32 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.051 0.54 . . . . 74.329999999999998 110.389 174.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -64.64 -41.74 95.94 Favored 'General case' 0 CA--C 1.555 1.165 0 CA-C-N 115.693 -0.685 . . . . 74.120000000000005 111.72 176.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -64.31 -37.13 86.41 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.207 0.603 . . . . 74.120000000000005 112.123 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.409 HD23 ' HG ' ' A' ' 4' ' ' LEU . 9.4 mp -70.44 -47.26 61.54 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.397 0.679 . . . . 74.420000000000002 111.358 176.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.434 ' O ' HD12 ' A' ' 49' ' ' LEU . . . -61.97 -55.14 29.87 Favored Glycine 0 C--N 1.352 1.423 0 CA-C-N 116.393 -0.367 . . . . 75.219999999999999 113.531 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.628 HD11 HG22 ' A' ' 66' ' ' VAL . 63.7 tp -58.28 -38.48 77.08 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.092 0.957 . . . . 72.319999999999993 111.903 175.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.55 -30.94 79.28 Favored Glycine 0 N--CA 1.472 1.089 0 CA-C-N 115.497 -0.774 . . . . 62.350000000000001 112.79 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.53 ' HH2' ' HZ3' ' A' ' 5' ' ' LYS . 30.4 t-105 -77.08 -24.5 51.88 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.336 0.654 . . . . 75.129999999999995 111.34 175.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.435 HD23 HG12 ' A' ' 55' ' ' VAL . 6.1 mp -72.78 -36.43 67.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.927 -0.483 . . . . 73.329999999999998 110.342 169.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.411 HD21 HG21 ' A' ' 55' ' ' VAL . 98.3 mt -67.41 -38.58 84.85 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 115.576 -0.738 . . . . 73.120000000000005 110.396 175.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.641 ' HB2' ' HB3' ' B' ' 51' ' ' ARG . 2.3 ppt_? -66.04 -30.06 70.53 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.326 0.65 . . . . 75.329999999999998 111.362 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -96.56 3.87 52.37 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 112.843 0.683 . . . . 75.420000000000002 112.843 176.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 64.49 15.64 9.73 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 124.259 1.023 . . . . 71.25 112.331 174.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -80.54 -9.28 59.78 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.462 0.705 . . . . 74.209999999999994 112.826 -172.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.494 HG11 HD23 ' A' ' 68' ' ' LEU . 35.8 m -137.29 162.13 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-O 121.456 0.646 . . . . 75.019999999999996 112.063 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.5 p -129.98 134.01 63.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 124.249 1.019 . . . . 72.530000000000001 110.226 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.4 p -111.27 132.98 53.94 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.785 0.834 . . . . 75.230000000000004 111.472 -172.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.7 t -122.88 158.67 29.84 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.288 1.035 . . . . 75.430000000000007 110.294 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -99.86 103.61 15.22 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.239 0.616 . . . . 75.430000000000007 109.441 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.3 t -108.42 107.35 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-O 121.13 0.49 . . . . 75.209999999999994 110.298 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 49.28 31.14 3.52 Favored 'General case' 0 CA--C 1.561 1.365 0 C-N-CA 126.058 1.743 . . . . 75.450000000000003 114.607 173.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.64 5.03 57.89 Favored Glycine 0 CA--C 1.539 1.541 0 N-CA-C 115.689 1.036 . . . . 63.149999999999999 115.689 176.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -126.3 161.28 28.15 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 118.743 1.272 . . . . 72.430000000000007 111.559 174.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 55.9 mt -77.64 113.21 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-N 115.674 -0.694 . . . . 74.430000000000007 111.344 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -106.58 132.15 52.92 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.562 -0.903 . . . . 74.329999999999998 108.562 167.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.628 HG22 HD11 ' A' ' 46' ' ' LEU . 8.0 p -139.83 150.48 22.05 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 C-N-CA 122.572 0.349 . . . . 75.430000000000007 111.627 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 20.6 ptmt -147.96 157.46 43.53 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.323 0.649 . . . . 71.120000000000005 111.113 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.494 HD23 HG11 ' A' ' 55' ' ' VAL . 60.1 mt -67.05 137.16 56.21 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.588 0.355 . . . . 74.420000000000002 111.648 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.7 t . . . . . 0 CA--C 1.549 0.935 0 N-CA-C 108.753 -0.832 . . . . 64.530000000000001 108.753 165.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' MET . . . . . 0.432 ' HB2' ' HB2' ' B' ' 6' ' ' GLU . 33.7 mmt . . . . . 0 CA--C 1.548 0.871 0 N-CA-C 110.329 -0.249 . . . . 74.430000000000007 110.329 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 mp -66.09 -20.37 66.14 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 121.319 0.58 . . . . 63.240000000000002 110.594 175.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -75.48 -35.18 60.89 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 123.969 0.908 . . . . 73.540000000000006 111.182 172.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' B' ' 3' ' ' MET . 11.1 tp10 -75.0 -47.25 30.1 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 122.799 0.44 . . . . 75.030000000000001 111.615 -175.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.477 ' HB2' ' HZ3' ' B' ' 7' ' ' LYS . 0.0 OUTLIER -55.22 -34.96 64.4 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.421 0.688 . . . . 75.140000000000001 111.408 175.648 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.86 -32.5 71.92 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.273 1.029 . . . . 63.409999999999997 111.64 -176.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.99 -40.16 44.18 Favored Glycine 0 CA--C 1.535 1.339 0 CA-C-N 115.041 -0.982 . . . . 62.520000000000003 113.888 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.11 -47.49 74.01 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.007 0.523 . . . . 72.200000000000003 111.474 175.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.89 -30.63 71.68 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.875 0.87 . . . . 73.319999999999993 111.514 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' B' ' 48' ' ' TRP . . . -58.25 -45.78 87.17 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.093 0.557 . . . . 73.230000000000004 112.027 175.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.19 -42.71 98.74 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.645 -0.707 . . . . 61.109999999999999 113.368 176.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -72.89 -37.55 67.24 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.618 0.767 . . . . 73.150000000000006 112.026 -176.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 68.4 mt -69.91 -47.08 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 C-N-CA 123.574 0.75 . . . . 74.420000000000002 111.389 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -66.01 -47.46 74.39 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 123.085 0.554 . . . . 75.209999999999994 111.178 -178.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -62.38 -30.02 70.9 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 112.523 0.564 . . . . 71.010000000000005 112.523 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.43 -30.15 71.19 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.871 0.468 . . . . 65.25 111.569 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.514 HD23 HG12 ' B' ' 30' ' ' ILE . 80.0 mt -93.44 -14.71 26.41 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 123.861 0.864 . . . . 72.209999999999994 112.536 178.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -65.12 120.59 12.96 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 122.707 0.403 . . . . 63.329999999999998 110.586 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.81 -33.52 6.5 Favored Glycine 0 CA--C 1.536 1.359 0 CA-C-N 115.693 -0.685 . . . . 61.32 113.142 -175.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 12.1 p -83.05 173.0 12.13 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.341 0.656 . . . . 65.109999999999999 111.443 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -81.51 1.32 34.0 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.981 0.512 . . . . 71.400000000000006 112.324 175.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.65 139.86 11.07 Favored Glycine 0 C--N 1.349 1.288 0 C-N-CA 123.028 0.346 . . . . 64.150000000000006 112.408 -173.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.465 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 83.8 mt -127.91 166.04 19.06 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 122.996 0.518 . . . . 71.230000000000004 111.702 -173.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' B' ' 65' ' ' PHE . 82.2 p -81.76 169.17 17.25 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 122.896 0.478 . . . . 74.519999999999996 111.078 178.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . 0.429 ' HB3' ' HB ' ' B' ' 64' ' ' ILE . 4.7 pt20 -53.52 -38.82 64.12 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.383 0.673 . . . . 74.430000000000007 112.494 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -61.48 -45.02 96.0 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.797 0.839 . . . . 73.099999999999994 111.509 178.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . 0.465 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 18.8 mm-40 -74.25 -28.23 61.12 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.613 0.765 . . . . 72.209999999999994 112.596 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.514 HG12 HD23 ' B' ' 19' ' ' LEU . 89.3 mt -72.48 -47.59 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 122.981 0.512 . . . . 65.340000000000003 110.558 175.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -59.99 -25.71 65.47 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.117 0.967 . . . . 72.530000000000001 111.808 173.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -68.7 -56.45 8.11 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 123.546 0.738 . . . . 72.209999999999994 110.798 172.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.06 -35.83 78.86 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 113.177 0.806 . . . . 65.219999999999999 113.177 -173.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 65.0 p -93.21 -13.0 28.89 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.71 0.804 . . . . 75.510000000000005 112.097 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm 67.88 19.2 9.55 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 125.048 1.339 . . . . 74.519999999999996 111.856 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -76.77 82.15 3.37 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.124 0.57 . . . . 74.329999999999998 110.447 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -67.22 -19.72 65.58 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.495 0.718 . . . . 75.530000000000001 112.408 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.59 135.4 33.51 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 109.781 -0.452 . . . . 61.329999999999998 109.781 172.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -64.18 -35.16 79.87 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.352 1.061 . . . . 72.209999999999994 111.621 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -57.38 -46.79 83.05 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.054 1.341 . . . . 71.120000000000005 113.107 -175.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.12 -32.74 74.42 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.647 0.779 . . . . 72.310000000000002 111.409 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -65.26 -48.21 74.03 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 116.027 -0.533 . . . . 65.049999999999997 111.259 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -63.37 -41.4 98.81 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 122.919 0.488 . . . . 72.530000000000001 112.219 -174.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -69.1 -44.56 72.21 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.166 0.586 . . . . 62.32 111.445 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . 0.447 ' O ' HD11 ' B' ' 49' ' ' LEU . . . -61.73 -46.02 95.06 Favored Glycine 0 N--CA 1.479 1.538 0 O-C-N 123.098 0.249 . . . . 73.420000000000002 112.903 175.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.04 -37.33 84.54 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.243 1.017 . . . . 73.430000000000007 111.814 177.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.24 -31.1 77.94 Favored Glycine 0 N--CA 1.474 1.194 0 CA-C-N 115.958 -0.565 . . . . 51.340000000000003 112.783 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' TRP . . . . . 0.44 ' HB3' ' HB3' ' B' ' 12' ' ' ALA . 8.8 t-105 -77.21 -30.59 54.77 Favored 'General case' 0 CA--C 1.561 1.369 0 C-N-CA 123.538 0.735 . . . . 74.120000000000005 111.153 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.63 HD21 HG12 ' B' ' 55' ' ' VAL . 5.2 mp -62.44 -30.78 71.48 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.022 0.439 . . . . 74.319999999999993 110.953 171.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 37.6 mt -70.45 -34.98 73.07 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-N 115.498 -0.774 . . . . 75.219999999999999 112.368 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.641 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 8.3 ptp180 -62.61 -35.6 80.08 Favored 'General case' 0 N--CA 1.504 2.258 0 N-CA-C 113.16 0.8 . . . . 70.209999999999994 113.16 -178.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.634 ' HG3' ' HG3' ' B' ' 51' ' ' ARG . 46.7 mt-10 -94.61 -8.34 38.33 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.812 0.445 . . . . 74.219999999999999 111.188 -177.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 63.94 28.26 14.47 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.229 1.012 . . . . 74.209999999999994 110.617 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.426 ' HD2' ' HB2' ' B' ' 52' ' ' GLU . 15.6 ptmt -84.99 -3.24 58.7 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.897 0.879 . . . . 74.329999999999998 112.066 -171.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.63 HG12 HD21 ' B' ' 49' ' ' LEU . 34.4 m -133.35 158.41 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 C-N-CA 123.411 0.684 . . . . 71.209999999999994 112.544 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 79.6 t -110.37 124.24 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.984 0.914 . . . . 64.439999999999998 109.407 167.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 76.0 p -104.27 133.36 49.32 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.891 0.476 . . . . 75.310000000000002 109.995 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 77.4 p -141.31 161.94 36.68 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.303 0.641 . . . . 75.319999999999993 110.401 -177.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -105.62 106.86 17.56 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.049 0.94 . . . . 75.200000000000003 110.009 -174.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 79.4 t -118.14 106.99 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 CA-C-O 120.843 0.354 . . . . 54.240000000000002 110.177 175.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 50.38 38.69 18.65 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 125.52 1.528 . . . . 72.329999999999998 113.174 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.72 -22.31 39.91 Favored Glycine 0 CA--C 1.543 1.787 0 CA-C-N 115.649 -0.705 . . . . 63.219999999999999 114.276 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -83.38 142.94 30.65 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.694 0.759 . . . . 75.409999999999997 112.914 -178.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . 0.429 ' HB ' ' HB3' ' B' ' 27' ' ' GLN . 67.3 mt -74.71 97.3 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 CA-C-N 114.453 -1.248 . . . . 72.540000000000006 110.309 173.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' PHE . . . . . 0.459 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 17.0 t80 -90.88 106.43 18.51 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.571 0.748 . . . . 75.120000000000005 110.34 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 39.9 t -106.46 117.21 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.462 0.705 . . . . 64.140000000000001 111.121 -174.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.41 ' HZ2' ' HB2' ' B' ' 67' ' ' LYS . 8.9 mtmp? -109.0 165.19 11.77 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.837 0.855 . . . . 71.5 109.473 174.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 25.1 mt -99.62 140.09 34.32 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-N 118.393 0.542 . . . . 74.209999999999994 110.918 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 98.2 t . . . . . 0 CA--C 1.553 1.074 0 CA-C-O 121.426 0.632 . . . . 74.310000000000002 109.616 171.001 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.502 HD13 ' HD3' ' A' ' 7' ' ' LYS . 34.7 tp . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.083 0.468 . . . . 64.310000000000002 111.797 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -65.99 -40.49 91.21 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 124.128 0.971 . . . . 74.540000000000006 112.275 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.16 -51.71 68.42 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.478 0.711 . . . . 64.329999999999998 111.683 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.57 ' HZ3' ' HB2' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -66.32 -42.61 87.99 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.841 -0.618 . . . . 75.230000000000004 111.313 177.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 7' ' ' LYS . . . -63.57 -32.48 73.96 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.52 0.728 . . . . 70.230000000000004 111.429 -176.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.89 -33.08 58.12 Favored Glycine 0 CA--C 1.536 1.405 0 CA-C-N 114.995 -1.002 . . . . 65.530000000000001 113.386 176.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.71 -39.42 64.35 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.348 0.659 . . . . 72.310000000000002 111.123 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.414 HD22 ' NE2' ' A' ' 14' ' ' GLN . 91.3 mt -65.38 -36.34 83.68 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.78 0.832 . . . . 72.319999999999993 110.287 173.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.97 -45.24 87.05 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.705 0.802 . . . . 74.099999999999994 111.93 174.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.43 -40.41 97.58 Favored Glycine 0 CA--C 1.54 1.604 0 CA-C-N 115.73 -0.668 . . . . 62.130000000000003 113.549 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.414 ' NE2' HD22 ' A' ' 11' ' ' LEU . 49.8 mt-30 -69.57 -46.11 67.12 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.736 0.814 . . . . 74.120000000000005 111.942 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.649 HG22 HG22 ' A' ' 30' ' ' ILE . 68.1 mt -68.03 -38.43 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 123.969 0.908 . . . . 74.519999999999996 111.645 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -64.14 -46.08 85.66 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 122.791 0.436 . . . . 75.150000000000006 110.893 173.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -63.2 -26.27 68.72 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 112.63 0.604 . . . . 74.239999999999995 112.63 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.01 84.84 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 121.093 0.473 . . . . 54.539999999999999 110.584 171.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.48 -22.02 57.57 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.182 0.993 . . . . 73.340000000000003 112.24 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -76.76 126.66 31.36 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.185 0.594 . . . . 62.350000000000001 109.649 -178.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.28 -4.06 66.91 Favored Glycine 0 CA--C 1.538 1.472 0 CA-C-N 116.217 -0.447 . . . . 53.130000000000003 112.945 -170.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.3 p -126.67 168.63 14.09 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.93 0.892 . . . . 73.340000000000003 110.281 174.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -100.59 7.81 43.79 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.111 0.565 . . . . 73.219999999999999 111.81 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.71 136.05 2.72 Favored Glycine 0 C--N 1.35 1.342 0 N-CA-C 113.885 0.314 . . . . 64.420000000000002 113.885 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 84.2 mt -132.18 160.24 36.67 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.598 1.159 . . . . 74.200000000000003 110.268 177.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.3 p -88.59 -178.0 5.71 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.339 0.655 . . . . 72.109999999999999 111.161 171.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -56.11 -48.19 76.64 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.698 0.399 . . . . 65.230000000000004 111.891 176.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -49.99 75.57 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.576 0.75 . . . . 71.349999999999994 111.987 -178.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.466 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 51.4 mt-30 -61.46 -35.33 77.31 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.613 0.765 . . . . 71.109999999999999 112.332 -174.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.649 HG22 HG22 ' A' ' 15' ' ' ILE . 76.5 mt -74.81 -49.8 28.02 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 C-N-CA 123.154 0.582 . . . . 74.019999999999996 111.345 173.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -56.74 -27.19 58.85 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 124.817 1.247 . . . . 75.400000000000006 111.873 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -67.92 -52.72 32.93 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.51 1.124 . . . . 75.25 111.524 172.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.16 -40.17 82.4 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.484 0.714 . . . . 54.119999999999997 112.181 -176.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.7 p -84.28 -26.36 28.63 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.446 1.098 . . . . 63.0 112.143 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt 59.83 37.73 21.7 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 124.662 1.185 . . . . 74.129999999999995 112.172 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.522 ' HB3' ' HB2' ' A' ' 41' ' ' ASP . 94.1 mt -68.36 124.02 22.37 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.539 -0.755 . . . . 75.450000000000003 109.994 174.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -55.05 -34.99 64.01 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.091 0.956 . . . . 73.519999999999996 113.303 -170.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.95 174.21 10.87 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.746 0.818 . . . . 74.5 111.341 -176.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.51 -33.07 75.03 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 114.796 -1.093 . . . . 74.209999999999994 111.272 170.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -55.13 -43.34 74.03 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.873 1.269 . . . . 75.109999999999999 112.538 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.522 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 2.9 m-20 -62.32 -38.46 89.53 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 124.235 1.014 . . . . 65.109999999999999 110.449 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -65.68 -39.98 91.88 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 114.801 -1.09 . . . . 75.340000000000003 112.267 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.469 ' CE2' ' HD2' ' B' ' 40' ' ' LYS . 43.7 m-85 -66.56 -33.29 75.35 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 112.551 0.575 . . . . 75.420000000000002 112.551 -178.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.9 mp -66.91 -39.38 87.38 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.229 0.612 . . . . 72.430000000000007 111.44 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.637 ' HA3' HD11 ' A' ' 15' ' ' ILE . . . -76.15 -53.32 5.74 Favored Glycine 0 CA--C 1.537 1.435 0 CA-C-N 116.325 -0.398 . . . . 62.329999999999998 113.345 177.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.34 -36.34 77.75 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 123.85 0.86 . . . . 75.25 112.053 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.36 -30.57 78.21 Favored Glycine 0 N--CA 1.477 1.375 0 CA-C-N 115.258 -0.883 . . . . 64.439999999999998 112.066 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.605 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 7.3 t-105 -71.21 -44.4 65.46 Favored 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 123.316 0.646 . . . . 74.109999999999999 110.504 172.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.495 HD22 HG12 ' A' ' 55' ' ' VAL . 6.2 mp -58.06 -29.5 65.45 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.247 0.619 . . . . 74.239999999999995 111.957 177.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.2 mt -71.02 -43.75 67.28 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.297 0.639 . . . . 74.129999999999995 112.649 171.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.605 ' HE ' ' HA ' ' A' ' 48' ' ' TRP . 12.9 ptp180 -59.78 -29.03 67.92 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 113.58 0.955 . . . . 73.530000000000001 113.58 -170.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -99.78 -6.8 26.37 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.847 0.859 . . . . 74.239999999999995 112.853 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 61.23 46.43 7.95 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.832 0.853 . . . . 61.329999999999998 109.945 -168.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -93.58 -15.67 25.17 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 114.886 -1.052 . . . . 73.430000000000007 111.053 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.495 HG12 HD22 ' A' ' 49' ' ' LEU . 35.3 m -137.22 165.74 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 C-N-CA 123.772 0.829 . . . . 75.420000000000002 112.067 173.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.1 t -112.22 124.91 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 124.079 0.952 . . . . 73.450000000000003 109.212 169.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.5 p -112.58 133.81 54.43 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.294 0.638 . . . . 73.319999999999993 110.394 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 64.2 m -135.05 154.62 51.64 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.501 1.121 . . . . 75.310000000000002 110.187 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -97.84 107.1 19.52 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.41 0.684 . . . . 74.340000000000003 109.375 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 64.8 t -115.35 108.77 26.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.644 0.778 . . . . 74.150000000000006 109.861 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 54.03 32.51 15.7 Favored 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 124.796 1.239 . . . . 71.140000000000001 113.174 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.11 -25.64 23.04 Favored Glycine 0 CA--C 1.543 1.786 0 CA-C-N 116.197 -0.456 . . . . 74.140000000000001 114.196 -176.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -77.04 142.91 39.65 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.299 1.04 . . . . 74.450000000000003 111.715 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.9 mt -80.04 101.03 4.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 N-CA-C 109.257 -0.646 . . . . 71.519999999999996 109.257 169.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -88.76 142.64 27.5 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.329 0.652 . . . . 73.540000000000006 109.513 171.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.0 p -139.73 146.57 25.03 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 C-N-CA 123.131 0.573 . . . . 75.219999999999999 111.125 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -139.71 178.5 7.19 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.779 0.831 . . . . 63.030000000000001 109.637 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.1 mt -90.58 168.79 11.54 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 122.449 1.118 . . . . 71.329999999999998 113.903 -176.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.48 1.06 0 CA-C-N 113.637 -1.62 . . . . 73.239999999999995 110.846 175.371 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 12.6 tpt . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 112.347 0.499 . . . . 73.409999999999997 112.347 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 mp -65.66 -20.47 66.31 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 123.294 0.638 . . . . 73.409999999999997 111.592 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.435 ' HE2' ' HH2' ' B' ' 48' ' ' TRP . 20.5 tptm -62.17 -55.96 23.52 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.948 0.899 . . . . 73.439999999999998 111.704 167.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -78.9 -35.42 43.58 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 112.906 0.706 . . . . 73.310000000000002 112.906 -168.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.595 ' HZ1' HD13 ' B' ' 11' ' ' LEU . 0.0 OUTLIER -60.89 -31.6 71.08 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 117.727 0.239 . . . . 72.0 111.245 178.544 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.92 80.57 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.27 0.628 . . . . 75.319999999999993 111.579 173.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.09 -32.09 63.49 Favored Glycine 0 CA--C 1.543 1.804 0 CA-C-N 115.808 -0.633 . . . . 73.140000000000001 114.322 175.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.82 -41.81 67.74 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.197 0.599 . . . . 61.130000000000003 111.219 176.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.595 HD13 ' HZ1' ' B' ' 7' ' ' LYS . 41.6 mt -62.33 -39.87 94.51 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.309 1.044 . . . . 75.239999999999995 110.571 172.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . 0.415 ' HB1' ' HB3' ' B' ' 48' ' ' TRP . . . -58.62 -38.73 78.64 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.137 0.975 . . . . 74.230000000000004 112.283 176.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.98 -44.0 98.73 Favored Glycine 0 CA--C 1.536 1.388 0 CA-C-N 115.788 -0.642 . . . . 73.200000000000003 113.01 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.568 HE21 ' HA ' ' B' ' 11' ' ' LEU . 47.3 mt-30 -62.69 -47.28 84.31 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.437 0.695 . . . . 74.439999999999998 111.515 177.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' B' ' 42' ' ' PHE . 74.2 mt -67.81 -36.06 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 123.788 0.835 . . . . 73.109999999999999 111.619 -177.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -63.75 -49.02 74.66 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.725 0.41 . . . . 74.420000000000002 110.106 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.94 -33.45 71.92 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.965 0.506 . . . . 73.219999999999999 111.711 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.0 93.01 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.822 0.849 . . . . 53.109999999999999 112.239 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.497 HD23 HG13 ' B' ' 66' ' ' VAL . 9.9 mp -86.52 -13.99 44.32 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.612 0.765 . . . . 63.149999999999999 111.856 177.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -73.11 129.79 38.86 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.331 0.652 . . . . 74.230000000000004 111.095 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.75 1.77 90.59 Favored Glycine 0 CA--C 1.543 1.793 0 N-CA-C 114.359 0.504 . . . . 72.140000000000001 114.359 -178.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.3 p -124.15 169.39 11.76 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.776 0.83 . . . . 75.319999999999993 110.333 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -9.57 59.31 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.252 1.021 . . . . 74.400000000000006 113.244 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.522 ' HA3' ' HG2' ' B' ' 67' ' ' LYS . . . 122.51 143.23 6.4 Favored Glycine 0 N--CA 1.484 1.855 0 CA-C-N 117.83 0.287 . . . . 71.400000000000006 113.032 -179.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mp -127.33 162.73 25.58 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.176 0.59 . . . . 74.450000000000003 111.9 -172.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 70.1 p -87.85 162.92 16.68 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.571 0.749 . . . . 72.540000000000006 110.248 169.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -51.25 -44.86 61.86 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 114.592 1.331 . . . . 74.049999999999997 114.592 -169.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.591 ' HB3' ' HZ3' ' B' ' 28' ' ' LYS . 8.9 mtpm? -65.91 -39.49 90.61 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 123.149 0.579 . . . . 75.040000000000006 112.175 178.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -66.64 -32.67 74.14 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.697 0.799 . . . . 72.329999999999998 111.393 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.401 HG22 HG21 ' B' ' 15' ' ' ILE . 64.1 mt -70.57 -44.69 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.28 0.632 . . . . 73.519999999999996 110.464 174.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.538 ' HB3' ' HZ3' ' B' ' 31' ' ' LYS . 9.2 mtpm? -60.44 -26.05 66.45 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.725 0.81 . . . . 71.510000000000005 111.976 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -66.2 -55.12 17.8 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.515 0.726 . . . . 72.299999999999997 111.572 170.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.92 -39.14 87.27 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.22 0.608 . . . . 72.430000000000007 112.175 -176.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 72.1 p -78.69 -21.14 48.63 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.222 1.009 . . . . 75.349999999999994 111.795 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp 64.9 27.87 12.75 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 124.866 1.266 . . . . 63.340000000000003 111.59 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 83.1 mt -83.85 125.87 32.4 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.79 0.836 . . . . 75.200000000000003 110.377 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -78.41 -49.01 14.27 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.282 0.633 . . . . 74.219999999999999 110.653 176.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.48 129.48 35.77 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.174 0.59 . . . . 72.129999999999995 111.797 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.13 -27.22 68.58 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.704 0.802 . . . . 61.130000000000003 111.606 172.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.469 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 26.0 mmtp -70.55 -40.51 73.34 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.737 0.815 . . . . 75.219999999999999 111.568 -171.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.32 -33.37 75.67 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 123.125 0.57 . . . . 54.539999999999999 111.134 172.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.431 ' HA ' HD13 ' B' ' 15' ' ' ILE . 39.0 t80 -64.54 -41.04 96.61 Favored 'General case' 0 CA--C 1.563 1.463 0 C-N-CA 122.901 0.48 . . . . 75.420000000000002 111.478 171.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -68.61 -39.31 80.91 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 111.923 0.342 . . . . 75.409999999999997 111.923 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.25 -40.89 90.49 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.346 0.658 . . . . 74.310000000000002 111.105 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . 0.428 ' O ' HD12 ' B' ' 49' ' ' LEU . . . -67.35 -48.75 56.4 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 116.288 -0.415 . . . . 62.140000000000001 113.437 176.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.55 -31.53 72.79 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.802 0.841 . . . . 73.329999999999998 111.459 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.06 -31.34 79.08 Favored Glycine 0 N--CA 1.475 1.235 0 CA-C-N 115.409 -0.814 . . . . 55.340000000000003 112.388 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' TRP . . . . . 0.435 ' HH2' ' HE2' ' B' ' 5' ' ' LYS . 31.2 t-105 -74.54 -32.12 62.34 Favored 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 123.58 0.752 . . . . 73.519999999999996 111.157 175.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.58 HD23 HG12 ' B' ' 55' ' ' VAL . 6.4 mp -63.94 -31.69 72.96 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.091 0.557 . . . . 75.450000000000003 111.202 171.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.11 -41.48 81.69 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.557 0.743 . . . . 71.200000000000003 112.424 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.459 ' HD3' ' HG3' ' B' ' 52' ' ' GLU . 0.0 OUTLIER -71.97 -16.23 62.08 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 113.086 0.772 . . . . 70.230000000000004 113.086 -177.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.459 ' HG3' ' HD3' ' B' ' 51' ' ' ARG . 42.6 mt-10 -102.64 -16.29 16.1 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.968 0.507 . . . . 75.219999999999999 111.732 172.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 61.01 35.26 19.01 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.104 0.961 . . . . 73.109999999999999 112.144 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -82.57 -2.13 52.8 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 116.158 -0.474 . . . . 64.310000000000002 110.746 176.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.58 HG12 HD23 ' B' ' 49' ' ' LEU . 29.4 m -135.03 159.53 41.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 N-CA-C 113.132 0.79 . . . . 60.520000000000003 113.132 178.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.6 HG23 ' HA ' ' B' ' 69' ' ' VAL . 73.3 t -113.47 123.27 68.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 114.672 -1.149 . . . . 63.119999999999997 108.386 163.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 36.1 p -106.82 144.87 32.85 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.894 0.878 . . . . 63.350000000000001 111.298 -176.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 96.9 p -152.12 172.62 16.06 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.277 1.031 . . . . 73.430000000000007 109.866 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -119.88 113.66 20.9 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 109.529 -0.545 . . . . 74.120000000000005 109.529 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.0 t -123.0 119.7 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.37 1.068 . . . . 75.150000000000006 110.167 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 50.22 35.25 10.03 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 125.576 1.55 . . . . 74.219999999999999 113.997 176.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.28 4.7 70.87 Favored Glycine 0 CA--C 1.543 1.797 0 N-CA-C 115.078 0.791 . . . . 71.430000000000007 115.078 176.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -119.79 159.32 24.79 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.742 0.817 . . . . 73.329999999999998 111.579 174.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 57.4 mt -79.54 107.63 12.18 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 CA-C-N 116.049 -0.523 . . . . 74.140000000000001 109.843 172.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -99.05 125.6 44.58 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.293 0.637 . . . . 75.420000000000002 109.679 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.497 HG13 HD23 ' B' ' 19' ' ' LEU . 4.0 p -139.71 144.79 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.411 0 N-CA-C 112.34 0.496 . . . . 74.420000000000002 112.34 -174.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.522 ' HG2' ' HA3' ' B' ' 24' ' ' GLY . 51.5 mtmt -128.62 161.01 30.64 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 124.38 1.072 . . . . 73.099999999999994 109.819 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.448 HD23 HG11 ' B' ' 55' ' ' VAL . 72.0 mt -80.17 65.95 5.5 Favored 'General case' 0 N--CA 1.5 2.039 0 CA-C-N 119.151 0.887 . . . . 73.430000000000007 111.38 175.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.6 ' HA ' HG23 ' B' ' 56' ' ' VAL . 11.1 t . . . . . 0 N--CA 1.503 2.223 0 C-N-CA 124.879 1.272 . . . . 74.140000000000001 111.989 -174.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 111.975 0.361 . . . . 73.230000000000004 111.975 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -68.44 -36.96 79.78 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.437 0.695 . . . . 75.310000000000002 111.299 173.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -71.94 -49.45 37.42 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.483 0.313 . . . . 71.140000000000001 111.626 -174.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.439 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -63.66 -25.23 68.12 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 111.74 0.274 . . . . 61.539999999999999 111.74 179.227 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.85 95.03 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.046 0.538 . . . . 71.450000000000003 110.718 171.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.04 -35.24 64.6 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 115.186 -0.915 . . . . 75.040000000000006 113.697 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.19 -43.51 97.99 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.336 0.655 . . . . 73.420000000000002 112.043 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 75.5 mt -77.19 -18.81 57.47 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.476 0.71 . . . . 73.099999999999994 111.953 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.39 -53.27 60.08 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.218 0.607 . . . . 75.140000000000001 112.539 177.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.34 -42.03 81.69 Favored Glycine 0 CA--C 1.54 1.629 0 N-CA-C 115.081 0.792 . . . . 33.229999999999997 115.081 -178.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -74.48 -36.03 63.27 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 122.855 0.462 . . . . 73.209999999999994 112.191 -177.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.533 HG22 HG23 ' A' ' 30' ' ' ILE . 68.8 mt -67.9 -41.88 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 C-N-CA 122.79 0.436 . . . . 75.319999999999993 110.303 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.466 ' CD1' ' HE2' ' A' ' 54' ' ' LYS . 80.9 t90 -57.22 -47.27 81.75 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.444 0.698 . . . . 73.209999999999994 110.856 175.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -64.88 -30.27 71.26 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.94 0.896 . . . . 65.129999999999995 113.093 177.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.82 -37.73 87.02 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-O 121.108 0.48 . . . . 75.400000000000006 110.885 174.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.52 ' HA ' HD11 ' A' ' 25' ' ' LEU . 8.4 mp -81.24 -25.77 36.38 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.992 0.917 . . . . 73.109999999999999 112.178 177.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -69.16 135.71 51.06 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 112.27 0.471 . . . . 71.319999999999993 112.27 -174.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.11 5.68 89.94 Favored Glycine 0 CA--C 1.538 1.517 0 CA-C-N 115.626 -0.715 . . . . 73.519999999999996 113.717 -175.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.3 m -124.94 160.68 28.33 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.993 0.917 . . . . 71.200000000000003 109.943 -177.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -86.08 -0.03 54.61 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.273 0.629 . . . . 74.409999999999997 112.377 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.39 139.2 4.16 Favored Glycine 0 C--N 1.353 1.487 0 N-CA-C 113.919 0.328 . . . . 71.019999999999996 113.919 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.52 HD11 ' HA ' ' A' ' 19' ' ' LEU . 5.4 mp -122.99 154.43 38.45 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.689 0.795 . . . . 73.439999999999998 110.105 178.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.8 p -91.06 163.19 14.39 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 109.565 -0.532 . . . . 74.239999999999995 109.565 167.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -54.4 -30.02 50.83 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.946 0.899 . . . . 73.109999999999999 113.383 -176.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -41.66 99.11 Favored 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 123.771 0.829 . . . . 73.319999999999993 112.275 175.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -76.94 -38.87 52.52 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.7 0.8 . . . . 70.519999999999996 112.744 -176.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.533 HG23 HG22 ' A' ' 15' ' ' ILE . 51.4 mt -62.55 -45.07 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 C-N-CA 123.378 0.671 . . . . 64.310000000000002 112.462 -173.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -65.07 -25.28 67.74 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.11 0.564 . . . . 73.319999999999993 112.358 -177.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -65.13 -49.75 68.73 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.527 0.731 . . . . 73.409999999999997 110.763 170.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.48 -33.05 70.81 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 115.457 -0.792 . . . . 72.310000000000002 112.568 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.2 p -94.11 -22.31 18.56 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.807 0.843 . . . . 75.420000000000002 112.67 -177.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt 69.16 23.04 6.54 Favored 'General case' 0 CA--C 1.571 1.776 0 C-N-CA 124.929 1.292 . . . . 74.150000000000006 112.31 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.4 mt -64.72 -38.97 92.8 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 112.638 0.607 . . . . 71.209999999999994 112.638 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm 70.51 -64.07 0.38 Allowed 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.961 1.304 . . . . 74.319999999999993 112.184 -175.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.431 ' HB3' ' HD3' ' A' ' 40' ' ' LYS . . . -70.83 133.12 46.23 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.396 0.678 . . . . 74.239999999999995 111.669 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -65.38 -29.3 69.99 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.141 0.576 . . . . 74.209999999999994 110.726 168.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.492 ' H ' ' HD2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -56.55 -56.34 22.48 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 124.89 1.276 . . . . 63.219999999999999 111.807 -176.801 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.22 -29.03 67.77 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.727 0.811 . . . . 73.340000000000003 110.888 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -64.4 -38.71 91.97 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-N 115.251 -0.886 . . . . 74.5 111.734 177.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -67.53 -34.27 76.74 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 122.792 0.437 . . . . 65.140000000000001 112.123 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -70.49 -43.28 70.04 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.804 0.442 . . . . 74.329999999999998 111.04 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.419 ' O ' HD12 ' A' ' 49' ' ' LEU . . . -66.92 -53.13 28.64 Favored Glycine 0 CA--C 1.539 1.577 0 CA-C-N 116.56 -0.291 . . . . 63.409999999999997 113.315 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.66 HD11 HG22 ' A' ' 66' ' ' VAL . 54.9 tp -65.8 -32.02 73.31 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.964 0.906 . . . . 75.430000000000007 111.629 178.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.43 -31.62 79.36 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-N 115.62 -0.718 . . . . 74.519999999999996 111.954 174.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -74.98 -25.7 59.03 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.007 0.523 . . . . 72.319999999999993 111.357 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.572 HD22 HG12 ' A' ' 55' ' ' VAL . 6.0 mp -64.87 -29.61 70.57 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 122.764 0.426 . . . . 74.450000000000003 111.462 169.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.8 mt -75.57 -34.08 60.66 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.286 0.634 . . . . 70.420000000000002 111.179 170.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.535 ' HD3' ' HA ' ' B' ' 51' ' ' ARG . 21.9 tpt180 -56.97 -42.09 79.54 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.516 0.727 . . . . 75.329999999999998 110.76 167.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 50.7 mt-10 -83.84 -19.65 34.54 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.059 0.543 . . . . 75.340000000000003 111.463 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 66.17 15.28 10.03 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 125.52 1.528 . . . . 61.009999999999998 111.847 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HE2' ' CD1' ' A' ' 16' ' ' TRP . 40.9 mtpt -80.83 3.48 22.39 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.186 0.994 . . . . 74.209999999999994 112.914 -176.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.572 HG12 HD22 ' A' ' 49' ' ' LEU . 23.8 m -130.22 150.6 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 114.331 1.234 . . . . 74.409999999999997 114.331 177.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 t -100.69 124.86 54.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.147 0 C-N-CA 125.068 1.347 . . . . 75.209999999999994 109.396 166.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.451 ' H ' ' HE2' ' B' ' 3' ' ' MET . 69.9 p -106.4 146.3 30.65 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 123.302 0.641 . . . . 71.25 111.866 -178.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -157.18 171.6 20.14 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 124.768 1.227 . . . . 70.540000000000006 110.063 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -118.12 122.48 43.19 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.114 0.566 . . . . 74.430000000000007 109.991 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 37.5 t -120.45 113.69 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 123.801 0.84 . . . . 74.409999999999997 109.96 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 53.43 41.21 32.14 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.528 1.531 . . . . 75.25 113.607 172.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.64 -0.12 84.6 Favored Glycine 0 CA--C 1.536 1.345 0 CA-C-N 115.484 -0.78 . . . . 72.040000000000006 115.0 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -117.57 155.4 29.87 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 117.693 0.747 . . . . 73.510000000000005 110.883 177.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.7 mt -75.72 109.36 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 123.609 0.764 . . . . 73.310000000000002 110.4 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -97.48 121.59 39.55 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.488 0.715 . . . . 74.329999999999998 109.449 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.66 HG22 HD11 ' A' ' 46' ' ' LEU . 7.3 p -137.31 144.41 31.82 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-O 121.437 0.637 . . . . 73.450000000000003 111.443 -177.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -140.3 176.9 8.39 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.915 0.886 . . . . 74.140000000000001 109.365 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.422 HD23 HG11 ' A' ' 55' ' ' VAL . 46.0 mt -85.77 156.93 20.4 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-O 121.325 0.583 . . . . 73.129999999999995 111.882 178.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 CA--C 1.554 1.126 0 N-CA-C 108.556 -0.905 . . . . 74.340000000000003 108.556 168.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' MET . . . . . 0.701 ' HB3' ' HG2' ' B' ' 6' ' ' GLU . 13.5 tpt . . . . . 0 CA--C 1.547 0.858 0 N-CA-C 109.19 -0.67 . . . . 64.109999999999999 109.19 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.91 -17.44 56.71 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.178 0.591 . . . . 72.239999999999995 111.641 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -62.92 -48.2 79.95 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 124.039 0.936 . . . . 74.310000000000002 110.98 170.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.701 ' HG2' ' HB3' ' B' ' 3' ' ' MET . 11.9 mm-40 -69.99 -40.27 75.41 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.187 0.595 . . . . 74.200000000000003 110.675 -178.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -57.09 -49.96 74.24 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.163 0.985 . . . . 74.349999999999994 111.661 175.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.1 -37.23 66.58 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 115.067 -0.97 . . . . 52.530000000000001 111.212 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.15 -34.44 69.91 Favored Glycine 0 CA--C 1.538 1.506 0 CA-C-N 115.681 -0.691 . . . . 74.420000000000002 114.302 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.84 -47.27 72.5 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.387 0.675 . . . . 74.519999999999996 111.774 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.459 ' HA ' HE21 ' B' ' 14' ' ' GLN . 68.6 mt -67.74 -34.57 77.09 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.7 0.8 . . . . 73.099999999999994 111.202 176.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . 0.41 ' HB3' ' HB3' ' B' ' 48' ' ' TRP . . . -58.49 -46.83 85.88 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.436 1.094 . . . . 62.340000000000003 113.411 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.64 -35.28 51.67 Favored Glycine 0 C--N 1.35 1.356 0 O-C-N 123.802 0.689 . . . . 64.120000000000005 113.578 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.459 HE21 ' HA ' ' B' ' 11' ' ' LEU . 36.4 mt-30 -70.3 -51.07 33.05 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.782 0.833 . . . . 74.519999999999996 111.343 176.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 62.1 mt -63.48 -40.39 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 123.727 0.811 . . . . 75.540000000000006 112.219 -174.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -58.9 -50.06 75.46 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.292 0.637 . . . . 73.040000000000006 110.552 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.11 -25.89 67.97 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.474 0.71 . . . . 75.209999999999994 112.472 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.95 -43.96 81.8 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.241 0.616 . . . . 71.430000000000007 111.077 172.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 80.2 mt -74.93 -20.76 59.56 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.604 0.762 . . . . 73.519999999999996 111.783 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -68.93 127.29 32.59 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.988 0.915 . . . . 73.010000000000005 110.811 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.14 3.72 84.76 Favored Glycine 0 CA--C 1.537 1.456 0 N-CA-C 114.028 0.371 . . . . 73.019999999999996 114.028 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 19.5 m -128.33 161.81 28.55 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.68 0.792 . . . . 74.530000000000001 110.461 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -79.52 23.09 0.42 Allowed 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 124.289 1.035 . . . . 65.010000000000005 112.266 176.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.34 150.31 23.71 Favored Glycine 0 C--N 1.348 1.198 0 C-N-CA 123.204 0.43 . . . . 55.5 112.604 -173.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.7 mt -123.3 155.18 37.75 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.537 0.735 . . . . 71.530000000000001 110.379 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 63.9 p -83.76 167.14 17.41 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.36 0.664 . . . . 74.230000000000004 109.633 170.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -57.55 -30.34 65.13 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 122.828 0.451 . . . . 74.349999999999994 111.662 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -61.14 -52.87 63.06 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.338 1.055 . . . . 72.209999999999994 111.816 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -70.47 -38.76 74.48 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.104 0.961 . . . . 73.510000000000005 112.323 -175.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 91.8 mt -61.08 -45.48 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 123.44 0.696 . . . . 73.439999999999998 110.911 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -55.89 -41.7 74.87 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 123.508 0.505 . . . . 74.150000000000006 112.353 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -70.98 -49.63 43.23 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 112.344 0.498 . . . . 73.5 112.344 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.12 -27.39 68.9 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.486 0.714 . . . . 72.219999999999999 112.697 -177.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 72.7 p -103.71 -20.07 14.09 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.975 0.91 . . . . 71.030000000000001 112.631 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 66.49 29.07 9.31 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.815 1.246 . . . . 71.439999999999998 112.289 -173.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt -75.32 127.72 33.79 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.866 0.467 . . . . 73.329999999999998 109.859 172.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -80.58 -27.78 37.34 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 113.344 0.868 . . . . 72.310000000000002 113.344 -169.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.96 158.13 43.43 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 121.435 0.636 . . . . 73.150000000000006 112.298 -173.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -60.96 -28.27 68.85 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 115.146 -0.934 . . . . 71.310000000000002 110.892 170.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -54.33 -45.96 72.79 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.71 1.204 . . . . 73.019999999999996 112.964 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -66.91 -36.61 82.66 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 121.652 0.739 . . . . 65.230000000000004 110.316 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -68.45 -44.51 74.71 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 114.452 -1.249 . . . . 75.019999999999996 112.352 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -66.22 -40.26 90.16 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 122.973 0.509 . . . . 74.530000000000001 112.373 -176.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mp -71.67 -43.24 66.37 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.961 0.505 . . . . 75.219999999999999 111.009 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . 0.419 ' O ' HD11 ' B' ' 49' ' ' LEU . . . -63.75 -53.33 38.72 Favored Glycine 0 CA--C 1.539 1.542 0 CA-C-N 116.416 -0.357 . . . . 73.219999999999999 113.123 176.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.04 -34.92 74.05 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 124.272 1.029 . . . . 73.219999999999999 111.93 176.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.56 -31.47 79.9 Favored Glycine 0 N--CA 1.475 1.242 0 CA-C-N 115.894 -0.594 . . . . 63.549999999999997 112.552 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' TRP . . . . . 0.41 ' HB3' ' HB3' ' B' ' 12' ' ' ALA . 55.2 t-105 -74.49 -35.76 63.25 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.683 0.793 . . . . 70.450000000000003 111.423 174.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.608 HD23 HG13 ' B' ' 55' ' ' VAL . 7.4 mp -62.39 -34.57 76.97 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.258 0.623 . . . . 64.519999999999996 110.98 172.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 81.9 mt -74.94 -36.49 62.12 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.78 0.832 . . . . 73.230000000000004 111.052 174.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.535 ' HA ' ' HD3' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -67.37 -31.88 72.42 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.85 0.46 . . . . 73.219999999999999 110.804 -179.694 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -99.2 -2.26 37.2 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.901 0.48 . . . . 70.200000000000003 111.549 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 t70 64.32 18.32 11.24 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 124.921 1.288 . . . . 75.150000000000006 112.335 172.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -73.56 -11.92 60.6 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.038 0.935 . . . . 72.0 112.951 -175.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.608 HG13 HD23 ' B' ' 49' ' ' LEU . 33.4 m -130.86 159.72 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-O 121.547 0.689 . . . . 72.319999999999993 111.972 -178.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -119.38 133.35 66.47 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 124.785 1.234 . . . . 64.209999999999994 109.776 172.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 37.3 p -103.11 139.57 38.45 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.121 0.968 . . . . 71.319999999999993 111.631 -172.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 59.5 m -143.02 165.93 26.02 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.634 1.174 . . . . 75.540000000000006 109.488 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -121.7 120.51 34.89 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.289 -0.634 . . . . 74.439999999999998 109.289 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 38.7 t -103.75 107.1 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 108.898 -0.778 . . . . 71.030000000000001 108.898 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 49.57 39.71 17.75 Favored 'General case' 0 CA--C 1.563 1.462 0 C-N-CA 125.429 1.492 . . . . 75.430000000000007 113.229 173.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.79 10.2 53.13 Favored Glycine 0 CA--C 1.541 1.709 0 N-CA-C 116.135 1.214 . . . . 71.319999999999993 116.135 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -132.83 160.47 36.83 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 119.374 1.587 . . . . 71.209999999999994 112.735 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 65.1 mt -73.64 110.92 7.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 124.29 1.036 . . . . 73.129999999999995 111.092 -176.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -117.33 116.85 28.03 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.088 0.955 . . . . 74.010000000000005 109.598 176.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 33.3 t -122.35 148.86 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 123.005 0.522 . . . . 73.239999999999995 110.88 -175.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.8 157.16 43.94 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.29 0.636 . . . . 74.129999999999995 109.786 175.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.53 HD22 HG12 ' B' ' 55' ' ' VAL . 63.7 mt -67.73 155.19 39.83 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.488 0.315 . . . . 72.430000000000007 111.116 177.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 CA--C 1.552 1.042 0 CA-C-O 121.389 0.614 . . . . 75.040000000000006 109.778 173.26 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 tt . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 112.352 0.501 . . . . 74.019999999999996 112.352 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -69.22 -48.92 60.62 Favored 'General case' 0 CA--C 1.56 1.339 0 C-N-CA 123.392 0.677 . . . . 73.200000000000003 111.783 -177.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.93 -38.63 69.82 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 122.862 0.465 . . . . 74.420000000000002 112.003 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -32.02 64.13 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 122.753 0.421 . . . . 72.439999999999998 110.891 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.03 97.61 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.142 0.577 . . . . 74.439999999999998 111.154 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.27 -42.98 93.83 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-N 115.512 -0.767 . . . . 71.140000000000001 113.586 174.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.73 91.43 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.415 0.686 . . . . 72.450000000000003 112.359 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.8 mt -70.16 -27.65 64.71 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.806 0.842 . . . . 75.219999999999999 112.074 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.06 -42.43 85.46 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 113.33 0.863 . . . . 72.209999999999994 113.33 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.38 -53.21 36.21 Favored Glycine 0 CA--C 1.538 1.495 0 O-C-N 123.85 0.719 . . . . 72.319999999999993 114.875 -176.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.446 ' NE2' HD23 ' A' ' 36' ' ' LEU . 28.3 pt20 -69.27 -36.33 77.0 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.496 0.718 . . . . 65.25 112.493 -176.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.564 HG21 HG21 ' A' ' 30' ' ' ILE . 68.6 mt -65.19 -44.56 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 123.08 0.552 . . . . 75.329999999999998 110.423 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -59.49 -45.47 91.61 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-N 115.315 -0.857 . . . . 72.310000000000002 111.239 175.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.03 -25.93 65.63 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.735 0.814 . . . . 74.439999999999998 112.757 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.6 -30.37 68.11 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 122.998 0.519 . . . . 73.239999999999995 111.2 172.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.534 HD21 HD12 ' A' ' 30' ' ' ILE . 87.8 mt -88.1 -20.67 25.38 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.819 0.848 . . . . 71.340000000000003 112.003 176.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -70.57 123.38 21.7 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.841 0.456 . . . . 73.230000000000004 111.257 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.4 -15.42 63.3 Favored Glycine 0 CA--C 1.54 1.619 0 CA-C-N 115.929 -0.578 . . . . 73.120000000000005 114.131 -176.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.9 p -106.69 171.04 7.58 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.716 0.806 . . . . 72.120000000000005 111.335 -177.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -89.24 2.99 53.48 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 122.892 0.477 . . . . 74.439999999999998 111.952 175.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.516 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 113.28 144.53 9.01 Favored Glycine 0 C--N 1.349 1.305 0 N-CA-C 114.085 0.394 . . . . 64.219999999999999 114.085 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.558 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 2.7 mm? -126.92 166.54 17.32 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.329 1.052 . . . . 75.200000000000003 109.757 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.1 p -87.35 170.07 11.73 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 110.201 -0.296 . . . . 74.150000000000006 110.201 169.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -55.14 -37.25 66.7 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.014 0.526 . . . . 75.150000000000006 112.042 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -61.38 -44.38 97.26 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.84 1.256 . . . . 64.540000000000006 112.109 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.558 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 11.1 mm-40 -74.12 -39.52 63.29 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 115.509 -0.768 . . . . 73.200000000000003 111.101 -177.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.564 HG21 HG21 ' A' ' 15' ' ' ILE . 79.0 mt -65.2 -42.18 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 123.481 0.713 . . . . 65.510000000000005 111.79 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -54.04 -32.89 55.84 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 123.367 0.667 . . . . 74.540000000000006 112.307 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -70.81 -49.94 40.97 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.192 0.597 . . . . 64.310000000000002 111.234 174.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.79 76.54 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.041 0.936 . . . . 73.329999999999998 112.787 -175.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.6 p -101.68 -10.49 19.96 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.442 1.097 . . . . 75.439999999999998 112.447 -177.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt 68.95 25.35 6.04 Favored 'General case' 0 CA--C 1.571 1.75 0 C-N-CA 124.312 1.045 . . . . 74.120000000000005 111.468 176.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.446 HD23 ' NE2' ' A' ' 14' ' ' GLN . 68.5 mt -78.47 93.29 4.74 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.019 -0.537 . . . . 74.530000000000001 110.401 177.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -34.98 72.68 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.439 1.096 . . . . 73.319999999999993 112.261 -178.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -104.51 141.07 37.04 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.879 0.871 . . . . 71.140000000000001 110.419 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.56 -25.01 63.79 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.379 0.672 . . . . 73.319999999999993 110.381 172.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -53.02 -35.85 59.87 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.662 1.185 . . . . 71.400000000000006 112.596 169.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -67.59 -41.17 84.53 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-O 121.327 0.584 . . . . 72.129999999999995 110.236 174.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -71.2 -46.35 61.45 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.298 -0.864 . . . . 75.239999999999995 112.19 -174.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.95 -43.7 98.29 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 112.408 0.521 . . . . 74.400000000000006 112.408 -172.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 mp -73.59 -36.79 65.58 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.394 0.677 . . . . 74.400000000000006 111.047 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.429 ' O ' HD12 ' A' ' 49' ' ' LEU . . . -65.1 -46.39 88.6 Favored Glycine 0 CA--C 1.54 1.647 0 CA-C-N 116.701 -0.227 . . . . 64.209999999999994 112.656 172.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.7 tp -63.57 -33.82 76.44 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 124.802 1.241 . . . . 74.140000000000001 111.302 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.12 -31.53 81.03 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-N 115.344 -0.843 . . . . 55.32 112.319 176.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.419 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 15.5 t-105 -75.81 -34.03 60.14 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 123.398 0.679 . . . . 73.019999999999996 110.894 175.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.545 ' HA ' ' HD3' ' A' ' 54' ' ' LYS . 8.4 mp -62.12 -38.92 90.77 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.338 0.655 . . . . 75.439999999999998 111.837 172.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -75.9 -34.21 59.93 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.067 0.547 . . . . 74.099999999999994 110.992 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.509 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -63.59 -34.45 77.84 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.43 0.692 . . . . 70.329999999999998 112.276 -177.847 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.509 ' HG3' ' HG3' ' A' ' 51' ' ' ARG . 67.5 mt-10 -103.14 6.96 38.74 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 112.704 0.631 . . . . 71.319999999999993 112.704 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 63.1 28.46 16.08 Favored 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 124.046 0.938 . . . . 64.230000000000004 112.521 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.545 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 21.1 mtpp -71.51 -27.81 63.47 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.118 0.967 . . . . 74.239999999999995 111.033 -176.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.528 HG11 HD23 ' A' ' 68' ' ' LEU . 32.1 m -137.55 175.25 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 123.704 0.802 . . . . 74.040000000000006 111.789 -171.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -133.1 136.23 55.58 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 C-N-CA 124.621 1.168 . . . . 75.510000000000005 109.43 171.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.408 ' HG1' HD12 ' B' ' 4' ' ' LEU . 16.0 p -112.14 151.73 29.14 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.585 0.754 . . . . 74.120000000000005 111.189 -174.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.5 t -150.12 170.17 19.56 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.494 1.118 . . . . 73.120000000000005 109.91 -176.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -110.87 107.57 17.09 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.054 0.541 . . . . 71.299999999999997 110.301 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.547 HG12 ' HG2' ' A' ' 61' ' ' GLU . 54.4 t -110.92 117.17 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 123.732 0.813 . . . . 62.130000000000003 109.365 174.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.547 ' HG2' HG12 ' A' ' 60' ' ' VAL . 7.2 pt-20 46.86 43.54 13.46 Favored 'General case' 0 N--CA 1.5 2.034 0 C-N-CA 125.326 1.451 . . . . 70.420000000000002 113.937 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 73.94 15.85 79.59 Favored Glycine 0 CA--C 1.538 1.473 0 N-CA-C 114.606 0.602 . . . . 73.329999999999998 114.606 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -126.82 152.95 46.27 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.678 0.791 . . . . 74.409999999999997 110.501 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.7 mt -74.54 113.19 12.74 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 C-N-CA 123.083 0.553 . . . . 74.319999999999993 110.996 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -98.33 139.65 33.78 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.049 0.939 . . . . 73.209999999999994 109.091 169.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.5 p -140.85 147.17 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 122.593 0.357 . . . . 75.420000000000002 111.834 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.516 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 22.8 pttp -152.52 154.04 34.66 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.382 0.673 . . . . 74.510000000000005 110.141 175.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.528 HD23 HG11 ' A' ' 55' ' ' VAL . 38.7 mt -64.15 149.13 48.4 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 112.088 0.403 . . . . 74.140000000000001 112.088 -178.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.1 t . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.159 -0.682 . . . . 74.409999999999997 109.159 170.184 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 30.9 mmt . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 121.446 0.641 . . . . 74.129999999999995 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.584 HD23 ' HD2' ' B' ' 7' ' ' LYS . 2.6 tm? -57.19 -35.85 70.12 Favored 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 124.931 1.292 . . . . 73.299999999999997 111.741 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.438 ' HG3' ' HZ3' ' B' ' 48' ' ' TRP . 38.6 ttmt -65.64 -39.81 91.82 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.078 0.551 . . . . 73.420000000000002 112.122 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.2 -41.12 77.53 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.381 0.673 . . . . 72.329999999999998 112.201 -174.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.584 ' HD2' HD23 ' B' ' 4' ' ' LEU . 0.0 OUTLIER -73.44 -27.07 61.23 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 122.515 0.326 . . . . 72.409999999999997 111.844 175.147 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.51 -38.57 91.49 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.127 0.571 . . . . 74.329999999999998 111.35 174.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.54 -32.72 84.2 Favored Glycine 0 CA--C 1.539 1.551 0 CA-C-N 115.724 -0.671 . . . . 70.430000000000007 113.874 174.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.05 -45.13 71.16 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.028 0.531 . . . . 71.140000000000001 111.508 174.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.39 -33.47 73.72 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.811 0.844 . . . . 73.209999999999994 111.48 176.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.09 -43.58 74.09 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.585 0.754 . . . . 71.239999999999995 112.191 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.46 -50.98 61.9 Favored Glycine 0 CA--C 1.533 1.206 0 CA-C-N 115.455 -0.793 . . . . 73.340000000000003 113.893 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -69.88 -33.7 72.57 Favored 'General case' 0 CA--C 1.557 1.232 0 N-CA-C 112.406 0.521 . . . . 73.420000000000002 112.406 -176.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.622 HG21 HG22 ' B' ' 30' ' ' ILE . 90.5 mt -67.79 -43.84 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 123.493 0.717 . . . . 65.230000000000004 111.047 177.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . 0.407 ' HE1' ' HG2' ' B' ' 54' ' ' LYS . 73.1 t90 -61.68 -43.42 98.89 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.266 0.627 . . . . 73.25 110.948 174.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -63.43 -37.79 88.63 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 123.952 0.901 . . . . 75.310000000000002 110.28 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.31 84.8 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.792 0.837 . . . . 74.5 111.607 175.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.525 HD23 HD12 ' B' ' 30' ' ' ILE . 85.3 mt -76.45 -24.75 53.92 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.883 0.873 . . . . 75.549999999999997 112.471 177.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -72.02 133.3 45.21 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 122.527 0.331 . . . . 74.120000000000005 110.623 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.77 -1.28 78.11 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 115.974 -0.557 . . . . 70.209999999999994 114.303 -176.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 32.8 p -122.32 169.53 10.84 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.52 0.728 . . . . 72.25 110.302 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -82.33 3.71 26.73 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.156 0.582 . . . . 73.5 111.513 173.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.13 153.26 8.34 Favored Glycine 0 C--N 1.348 1.199 0 C-N-CA 123.664 0.65 . . . . 71.140000000000001 112.107 -174.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.555 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 80.8 mt -134.62 154.39 51.52 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.944 0.897 . . . . 71.129999999999995 109.979 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 69.0 p -77.69 167.44 21.57 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.495 0.318 . . . . 71.439999999999998 110.269 171.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -57.47 -35.03 69.64 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 122.858 0.463 . . . . 75.120000000000005 112.179 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -67.79 -42.53 81.48 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.995 0.918 . . . . 73.299999999999997 111.591 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . 0.555 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 15.2 mm-40 -67.89 -37.0 81.21 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 120.801 0.334 . . . . 75.140000000000001 111.694 -178.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.622 HG22 HG21 ' B' ' 15' ' ' ILE . 60.8 mt -69.2 -42.61 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.184 0.594 . . . . 75.239999999999995 110.569 173.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -52.24 -45.88 65.5 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 125.133 1.373 . . . . 74.109999999999999 111.111 176.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -67.98 -46.65 70.75 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 114.295 -1.32 . . . . 73.140000000000001 111.369 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.58 -29.21 67.69 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.894 0.701 . . . . 74.019999999999996 112.894 -176.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 76.8 p -94.1 -15.98 24.21 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.791 0.836 . . . . 64.219999999999999 111.712 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt 65.22 27.96 12.13 Favored 'General case' 0 CA--C 1.568 1.662 0 C-N-CA 124.71 1.204 . . . . 75.450000000000003 111.705 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -71.61 137.09 47.69 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 115.613 -0.721 . . . . 75.400000000000006 110.701 177.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -82.61 -50.21 9.01 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.592 0.757 . . . . 75.5 110.935 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.81 134.73 40.57 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.506 0.722 . . . . 74.25 110.866 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.11 -23.78 67.24 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 124.165 0.986 . . . . 74.409999999999997 111.654 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -61.67 -35.16 77.19 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.088 0.955 . . . . 74.129999999999995 111.709 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.59 -37.51 87.82 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.1 0.56 . . . . 71.310000000000002 110.976 173.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -64.75 -45.29 87.08 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 115.819 -0.628 . . . . 63.420000000000002 111.47 173.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -65.03 -37.15 86.66 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 122.729 0.412 . . . . 73.230000000000004 111.824 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 mp -67.5 -45.97 74.3 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.337 1.055 . . . . 75.239999999999995 111.295 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . 0.476 ' HA3' HD13 ' B' ' 15' ' ' ILE . . . -68.08 -44.43 77.22 Favored Glycine 0 CA--C 1.537 1.468 0 CA-C-N 116.116 -0.493 . . . . 73.049999999999997 113.109 178.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 63.8 tp -64.49 -31.85 73.24 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.935 0.894 . . . . 75.319999999999993 111.219 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.87 -31.38 78.15 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-N 115.761 -0.654 . . . . 73.340000000000003 112.451 175.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' TRP . . . . . 0.467 ' O ' ' HG2' ' B' ' 52' ' ' GLU . 8.1 t-105 -75.53 -30.92 59.92 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.587 0.755 . . . . 64.019999999999996 111.079 175.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.538 HD23 HG12 ' B' ' 55' ' ' VAL . 6.4 mp -68.71 -33.37 73.83 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 123.125 0.57 . . . . 73.340000000000003 111.377 173.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 94.3 mt -71.72 -35.71 70.26 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.819 0.847 . . . . 74.150000000000006 110.845 171.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.448 ' HB2' ' HB2' ' A' ' 51' ' ' ARG . 19.8 ttt85 -56.64 -48.21 78.03 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.224 1.009 . . . . 74.400000000000006 111.643 172.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' B' ' 48' ' ' TRP . 25.5 mm-40 -78.37 -17.71 56.1 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.196 -0.456 . . . . 74.200000000000003 111.708 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.15 28.32 17.88 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 124.223 1.009 . . . . 71.349999999999994 110.586 -171.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.407 ' HG2' ' HE1' ' B' ' 16' ' ' TRP . 33.0 ttpt -88.56 -5.92 57.88 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 114.692 -1.14 . . . . 75.150000000000006 111.44 -173.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.538 HG12 HD23 ' B' ' 49' ' ' LEU . 29.0 m -133.51 162.71 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 CA-C-O 121.527 0.68 . . . . 73.400000000000006 112.279 175.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 37.6 t -106.94 126.79 62.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 125.609 1.564 . . . . 75.5 109.823 170.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 21.5 p -104.23 136.56 43.61 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 121.432 0.634 . . . . 74.430000000000007 111.404 176.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 47.3 t -147.23 170.64 16.83 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.145 1.378 . . . . 74.129999999999995 109.127 -175.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -120.06 122.24 40.64 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.96 -0.462 . . . . 75.129999999999995 111.828 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.39 107.79 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 123.699 0.8 . . . . 71.120000000000005 109.622 168.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 55.17 39.11 31.34 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.049 1.34 . . . . 71.209999999999994 113.451 173.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.32 -26.36 15.88 Favored Glycine 0 CA--C 1.54 1.609 0 N-CA-C 114.389 0.516 . . . . 63.039999999999999 114.389 -176.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -81.54 149.15 28.8 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.293 0.637 . . . . 74.349999999999994 112.01 177.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 74.2 mt -77.97 105.71 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.391 0.676 . . . . 73.140000000000001 110.501 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -95.1 117.21 29.81 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.273 0.629 . . . . 74.409999999999997 109.984 173.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.43 147.08 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.101 0.56 . . . . 74.450000000000003 110.032 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -145.18 152.16 39.57 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.232 0.613 . . . . 65.0 109.504 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 66.5 mt -72.36 145.78 47.52 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 112.534 0.568 . . . . 75.349999999999994 112.534 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 77.0 t . . . . . 0 CA--C 1.553 1.068 0 N-CA-C 109.035 -0.728 . . . . 73.239999999999995 109.035 165.817 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 113.571 0.952 . . . . 73.430000000000007 113.571 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.583 ' HZ1' ' HB3' ' B' ' 53' ' ' ASP . 43.1 mtpt -64.12 -47.39 80.16 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.388 0.675 . . . . 75.040000000000006 111.165 169.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -73.52 -29.67 62.62 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.296 1.038 . . . . 72.209999999999994 111.08 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -67.02 -43.72 82.14 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 123.591 0.756 . . . . 74.239999999999995 109.909 170.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.29 -31.32 71.89 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.533 0.733 . . . . 73.510000000000005 111.311 171.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.19 -32.11 65.81 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-N 115.792 -0.64 . . . . 54.229999999999997 113.427 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.1 -37.27 69.56 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.271 0.628 . . . . 61.340000000000003 110.666 174.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.551 ' HA ' HE21 ' A' ' 14' ' ' GLN . 84.0 mt -66.81 -36.51 82.55 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.529 0.732 . . . . 64.409999999999997 110.446 171.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.76 -48.2 82.02 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.063 0.945 . . . . 64.099999999999994 112.848 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.42 -53.97 32.35 Favored Glycine 0 CA--C 1.537 1.453 0 O-C-N 123.871 0.732 . . . . 71.340000000000003 113.966 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.551 HE21 ' HA ' ' A' ' 11' ' ' LEU . 29.6 pt20 -64.76 -32.98 74.91 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 112.383 0.512 . . . . 75.010000000000005 112.383 -177.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.7 mt -70.3 -39.35 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 C-N-CA 122.853 0.461 . . . . 75.530000000000001 111.16 178.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -60.87 -52.36 65.39 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.936 0.494 . . . . 75.299999999999997 111.099 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.32 -31.91 66.15 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 122.84 0.456 . . . . 74.450000000000003 112.187 175.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.84 -41.13 87.94 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.198 0.599 . . . . 65.230000000000004 111.526 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.542 HD21 HD11 ' A' ' 30' ' ' ILE . 96.1 mt -79.82 -18.0 51.92 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.631 0.772 . . . . 72.200000000000003 112.467 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -74.7 136.75 41.82 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.278 0.631 . . . . 73.049999999999997 110.543 175.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.4 -44.78 3.39 Favored Glycine 0 CA--C 1.541 1.674 0 C-N-CA 122.661 0.172 . . . . 72.099999999999994 113.522 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.6 p -75.27 161.85 28.96 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.071 0.549 . . . . 62.229999999999997 111.61 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -67.38 -10.17 48.58 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 123.732 0.813 . . . . 63.009999999999998 112.698 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.95 142.19 7.0 Favored Glycine 0 C--N 1.343 0.971 0 N-CA-C 111.07 -0.812 . . . . 74.019999999999996 111.07 -170.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.41 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 94.2 mt -128.03 154.43 45.66 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 117.481 0.64 . . . . 72.299999999999997 110.836 -172.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.2 p -86.3 170.73 11.8 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.494 0.718 . . . . 74.5 110.508 173.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -27.8 66.99 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 118.345 0.521 . . . . 63.340000000000003 111.992 179.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -69.69 -44.13 71.05 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 124.495 1.118 . . . . 72.409999999999997 111.94 174.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.41 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 93.9 mt-30 -76.31 -39.38 54.25 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.487 0.715 . . . . 71.140000000000001 111.91 -176.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.542 HD11 HD21 ' A' ' 19' ' ' LEU . 85.2 mt -64.86 -33.39 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 124.02 0.928 . . . . 74.200000000000003 110.951 173.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.473 ' HE3' ' HB3' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -52.47 -47.2 66.65 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.826 0.85 . . . . 75.140000000000001 110.593 175.071 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -69.41 -46.46 66.78 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 115.126 -0.943 . . . . 65.010000000000005 112.228 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.54 -42.88 99.81 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.686 0.794 . . . . 74.010000000000005 113.038 -174.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.9 p -87.73 -7.51 57.27 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.063 0.945 . . . . 74.420000000000002 112.943 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp 67.51 51.33 0.86 Allowed 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 124.668 1.187 . . . . 72.099999999999994 112.289 176.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -133.18 173.22 11.67 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.461 0.704 . . . . 75.219999999999999 110.875 174.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -124.18 -30.88 3.4 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.465 0.706 . . . . 72.450000000000003 110.877 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.83 108.94 19.4 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.365 0.666 . . . . 74.430000000000007 111.549 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.473 ' HB3' ' HE3' ' A' ' 31' ' ' LYS . 2.4 p-10 -59.16 -24.43 63.03 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 124.245 1.018 . . . . 74.230000000000004 112.159 169.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -51.95 -42.81 63.16 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.268 1.027 . . . . 72.230000000000004 112.02 174.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.52 -36.53 71.08 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.783 0.833 . . . . 44.340000000000003 111.134 176.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -59.11 -39.13 81.34 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.724 0.81 . . . . 72.349999999999994 112.116 176.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -66.84 -36.21 81.82 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 122.71 0.404 . . . . 73.5 111.892 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.33 -44.43 91.54 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.641 0.777 . . . . 71.230000000000004 111.249 173.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.437 ' O ' HD12 ' A' ' 49' ' ' LEU . . . -69.12 -49.51 39.98 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-N 116.043 -0.526 . . . . 74.409999999999997 113.779 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.685 HD11 HG21 ' A' ' 66' ' ' VAL . 50.7 tp -64.89 -34.12 77.63 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.65 0.78 . . . . 75.510000000000005 111.311 -178.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.11 -31.02 79.3 Favored Glycine 0 N--CA 1.472 1.077 0 CA-C-N 115.527 -0.761 . . . . 71.219999999999999 112.202 175.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -77.17 -30.29 54.85 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 123.145 0.578 . . . . 62.530000000000001 111.161 175.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.596 HD22 HG12 ' A' ' 55' ' ' VAL . 6.6 mp -64.59 -37.34 87.22 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.041 0.536 . . . . 74.209999999999994 110.844 171.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.8 mt -66.56 -44.87 81.14 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 122.96 0.504 . . . . 75.420000000000002 111.605 177.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.469 ' HB2' ' HB2' ' B' ' 51' ' ' ARG . 0.1 OUTLIER -65.62 -22.96 66.71 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 113.983 1.105 . . . . 75.450000000000003 113.983 -175.195 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -101.07 -3.43 29.29 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 117.928 0.331 . . . . 64.040000000000006 111.817 173.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.6 t70 62.32 45.83 6.4 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.546 1.138 . . . . 73.340000000000003 110.31 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -84.31 -26.06 28.81 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 114.902 -1.045 . . . . 74.239999999999995 111.13 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.596 HG12 HD22 ' A' ' 49' ' ' LEU . 29.4 m -133.46 158.51 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 113.165 0.802 . . . . 75.049999999999997 113.165 -171.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -120.7 136.1 58.79 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 124.357 1.063 . . . . 74.540000000000006 110.563 170.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.542 ' HG1' HD12 ' B' ' 4' ' ' LEU . 48.9 p -102.57 134.41 45.97 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.977 0.911 . . . . 73.200000000000003 110.627 -178.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.1 m -121.41 139.7 53.11 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.78 1.232 . . . . 75.540000000000006 109.499 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -98.07 104.14 16.15 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.13 0.572 . . . . 71.030000000000001 110.613 -175.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.6 t -116.43 107.37 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 123.085 0.554 . . . . 73.230000000000004 109.886 174.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 51.21 36.98 17.21 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 125.144 1.378 . . . . 72.310000000000002 113.571 174.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.95 -23.81 15.81 Favored Glycine 0 CA--C 1.541 1.675 0 N-CA-C 114.782 0.673 . . . . 41.219999999999999 114.782 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -70.11 137.11 50.86 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.705 0.802 . . . . 74.430000000000007 111.973 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 59.8 mt -75.64 94.56 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 N-CA-C 109.396 -0.594 . . . . 75.140000000000001 109.396 173.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -98.61 101.86 13.42 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 108.516 -0.92 . . . . 74.150000000000006 108.516 173.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.685 HG21 HD11 ' A' ' 46' ' ' LEU . 7.4 p -116.6 151.83 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 122.934 0.494 . . . . 74.340000000000003 110.531 -176.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -151.66 177.89 9.91 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.939 0.896 . . . . 73.540000000000006 108.943 177.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.7 mt -69.07 166.92 17.11 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.097 0.408 . . . . 65.409999999999997 111.603 175.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 82.0 t . . . . . 0 N--CA 1.49 1.527 0 C-N-CA 123.043 0.537 . . . . 74.510000000000005 111.125 171.297 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 50.2 ttm . . . . . 0 CA--C 1.564 1.482 0 CA-C-O 120.305 0.098 . . . . 75.150000000000006 111.119 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.542 HD12 ' HG1' ' A' ' 57' ' ' THR . 6.3 mp -53.41 -29.94 37.63 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.509 0.723 . . . . 72.120000000000005 111.825 176.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -68.78 -51.22 43.38 Favored 'General case' 0 CA--C 1.559 1.29 0 C-N-CA 124.161 0.984 . . . . 74.239999999999995 111.734 174.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.02 -48.69 80.67 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.651 0.78 . . . . 73.299999999999997 112.274 -175.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -67.17 -29.8 69.59 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 112.824 0.676 . . . . 75.340000000000003 112.824 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -24.56 63.46 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.664 0.785 . . . . 71.439999999999998 112.143 173.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.37 -31.32 80.48 Favored Glycine 0 CA--C 1.543 1.796 0 CA-C-N 115.569 -0.741 . . . . 63.32 113.848 172.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.25 89.96 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.11 0.564 . . . . 74.5 111.472 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.67 -38.78 90.25 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 115.768 -0.651 . . . . 74.319999999999993 110.502 174.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.72 -48.4 81.27 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.903 0.881 . . . . 73.409999999999997 112.822 176.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.68 -52.97 44.78 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.308 -0.86 . . . . 43.229999999999997 113.9 -177.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -66.97 -34.51 77.91 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.525 0.73 . . . . 61.409999999999997 112.815 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.643 HD12 ' HA3' ' B' ' 45' ' ' GLY . 69.2 mt -64.9 -43.92 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 C-N-CA 122.877 0.471 . . . . 71.400000000000006 111.079 176.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -59.64 -42.68 93.3 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.44 0.696 . . . . 75.409999999999997 110.83 174.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -66.64 -30.23 70.45 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.929 0.891 . . . . 73.329999999999998 112.359 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.32 -34.26 74.38 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.192 0.597 . . . . 73.209999999999994 111.185 173.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.591 HD21 HD13 ' B' ' 30' ' ' ILE . 91.9 mt -79.34 -26.74 42.06 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.111 0.965 . . . . 74.239999999999995 112.697 176.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -65.11 125.68 25.71 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.992 0.517 . . . . 73.209999999999994 112.106 -172.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.12 -35.52 4.07 Favored Glycine 0 CA--C 1.537 1.423 0 CA-C-N 116.087 -0.506 . . . . 74.120000000000005 113.641 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 60.6 p -84.42 167.51 16.39 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.16 0.584 . . . . 74.120000000000005 111.909 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -86.28 34.36 0.63 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.031 0.933 . . . . 64.420000000000002 111.547 173.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.495 ' HA3' ' HG2' ' B' ' 67' ' ' LYS . . . 88.12 157.63 32.25 Favored Glycine 0 C--N 1.346 1.109 0 CA-C-N 116.065 -0.516 . . . . 74.510000000000005 113.754 175.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.448 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 98.3 mt -136.63 156.17 48.91 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.216 1.007 . . . . 74.040000000000006 110.108 -176.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 43.5 p -75.72 171.21 14.74 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.124 0.57 . . . . 75.099999999999994 110.928 172.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -55.38 -40.15 70.98 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.772 0.429 . . . . 74.209999999999994 110.954 172.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -60.77 -53.18 60.54 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 124.018 0.927 . . . . 71.400000000000006 111.945 176.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . 0.448 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 87.1 mm-40 -66.05 -37.29 85.46 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.826 0.85 . . . . 75.540000000000006 112.375 -175.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.591 HD13 HD21 ' B' ' 19' ' ' LEU . 91.7 mt -67.12 -45.38 86.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.276 0.63 . . . . 72.209999999999994 110.765 174.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.482 ' HG2' ' HB2' ' B' ' 36' ' ' LEU . 24.4 mtpp -61.51 -26.62 68.04 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.811 0.444 . . . . 72.420000000000002 111.975 176.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -71.25 -54.1 12.07 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.699 0.4 . . . . 73.420000000000002 111.452 171.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.12 -34.29 78.04 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 112.991 0.737 . . . . 74.400000000000006 112.991 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.453 ' OG1' ' HG ' ' B' ' 36' ' ' LEU . 69.1 p -99.72 -13.29 19.37 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 123.943 0.897 . . . . 63.200000000000003 112.227 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . 0.257 14.6 ptmm? 53.31 49.1 20.53 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 125.92 1.688 . . . . 74.329999999999998 112.99 -178.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.544 HD23 ' HB3' ' B' ' 41' ' ' ASP . 98.0 mt -64.46 143.81 57.64 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 114.763 -1.108 . . . . 74.530000000000001 111.526 174.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -73.06 -56.59 4.92 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.365 0.666 . . . . 75.439999999999998 112.278 -175.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.76 173.39 7.24 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.834 0.826 . . . . 73.530000000000001 112.575 -173.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -58.47 -38.77 78.26 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 125.331 1.452 . . . . 64.239999999999995 111.337 174.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.457 ' HA ' ' HD2' ' B' ' 43' ' ' PHE . 35.6 mmtp -68.33 -33.96 75.25 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.484 1.114 . . . . 74.109999999999999 112.86 -175.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . 0.544 ' HB3' HD23 ' B' ' 36' ' ' LEU . 1.2 m-20 -52.34 -35.22 50.41 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 124.745 1.218 . . . . 74.120000000000005 111.789 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -71.88 -42.09 67.21 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.083 -0.962 . . . . 72.310000000000002 112.182 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.457 ' HD2' ' HA ' ' B' ' 40' ' ' LYS . 54.8 m-85 -68.95 -34.1 74.79 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.09 0.556 . . . . 72.099999999999994 112.266 -176.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.95 -38.52 91.39 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.266 0.626 . . . . 73.340000000000003 111.005 173.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . 0.643 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -75.3 -60.5 3.26 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 115.763 -0.653 . . . . 74.219999999999999 113.579 178.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 47.0 tp -58.19 -35.14 71.18 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.242 1.017 . . . . 73.510000000000005 112.62 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.05 -31.29 80.38 Favored Glycine 0 N--CA 1.479 1.524 0 CA-C-O 121.477 0.487 . . . . 72.129999999999995 112.553 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' TRP . . . . . 0.528 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 13.7 t-105 -74.55 -34.69 63.01 Favored 'General case' 0 CA--C 1.564 1.511 0 C-N-CA 124.196 0.998 . . . . 74.230000000000004 110.838 174.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.584 HD22 HG12 ' B' ' 55' ' ' VAL . 5.9 mp -66.8 -35.01 79.08 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.18 0.592 . . . . 71.239999999999995 110.701 174.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 79.3 mt -71.63 -34.78 70.09 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.29 1.036 . . . . 75.040000000000006 111.958 173.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' B' ' 48' ' ' TRP . 5.0 ptt180 -60.39 -27.7 67.64 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 112.451 0.537 . . . . 75.219999999999999 112.451 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.442 ' HG3' ' HG3' ' B' ' 51' ' ' ARG . 32.5 mt-10 -112.38 -4.02 14.37 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.189 0.996 . . . . 73.200000000000003 111.878 177.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . 0.583 ' HB3' ' HZ1' ' A' ' 5' ' ' LYS . 3.9 p30 48.69 50.88 16.59 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 125.663 1.585 . . . . 74.540000000000006 113.177 -176.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -87.16 -6.09 58.76 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 114.64 -1.164 . . . . 73.519999999999996 110.796 172.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.584 HG12 HD22 ' B' ' 49' ' ' LEU . 26.9 m -130.0 159.5 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.297 1.039 . . . . 65.5 112.048 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 3.7 p -116.24 122.66 70.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-N 115.378 -0.828 . . . . 63.520000000000003 109.167 165.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 81.5 p -104.25 147.46 27.45 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.121 0.569 . . . . 70.299999999999997 111.229 -174.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 68.0 m -143.65 166.43 24.88 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.118 0.967 . . . . 75.219999999999999 110.138 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -118.46 121.97 41.61 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.479 0.712 . . . . 74.340000000000003 109.722 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -112.37 106.69 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.927 0.891 . . . . 73.540000000000006 109.106 174.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 47.2 50.71 14.01 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 125.5 1.52 . . . . 75.109999999999999 113.307 170.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.81 -27.1 10.42 Favored Glycine 0 CA--C 1.544 1.853 0 CA-C-N 115.462 -0.79 . . . . 74.439999999999998 114.887 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -91.7 154.85 18.7 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 117.641 0.72 . . . . 72.150000000000006 111.816 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 63.2 mt -88.34 122.62 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 123.311 0.644 . . . . 74.200000000000003 110.898 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -121.79 125.8 47.36 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.315 1.046 . . . . 74.140000000000001 108.84 173.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.6 m -129.52 154.52 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 122.752 0.421 . . . . 75.219999999999999 111.88 -173.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.495 ' HG2' ' HA3' ' B' ' 24' ' ' GLY . 48.2 mtpt -130.88 177.05 7.72 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.612 1.165 . . . . 72.519999999999996 109.579 174.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.479 HD22 HG11 ' B' ' 55' ' ' VAL . 68.0 mt -86.37 160.05 19.19 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.566 0.346 . . . . 73.299999999999997 110.383 166.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 98.2 t . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 109.763 -0.458 . . . . 72.140000000000001 109.763 170.785 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 CA--C 1.555 1.148 0 CA-C-O 121.157 0.503 . . . . 74.219999999999999 110.601 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -70.47 -38.47 74.44 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.822 0.849 . . . . 75.420000000000002 111.669 169.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -64.26 -51.32 64.15 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.417 0.687 . . . . 74.310000000000002 111.783 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -65.85 -32.44 73.96 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 116.596 -0.274 . . . . 74.549999999999997 111.358 177.485 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.448 ' N ' ' HD2' ' A' ' 7' ' ' LYS . . . -63.34 -37.95 89.25 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.11 0.564 . . . . 73.120000000000005 111.159 174.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.6 -32.68 71.18 Favored Glycine 0 CA--C 1.539 1.549 0 CA-C-N 115.714 -0.676 . . . . 64.519999999999996 113.357 173.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.11 -41.71 85.77 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.373 0.669 . . . . 70.109999999999999 111.479 177.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.502 ' HA ' HE21 ' A' ' 14' ' ' GLN . 63.0 mt -75.41 -31.49 60.42 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.599 0.76 . . . . 75.040000000000006 110.676 177.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.87 -55.16 37.95 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.927 0.891 . . . . 73.129999999999995 112.445 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.85 -31.75 47.18 Favored Glycine 0 CA--C 1.537 1.465 0 O-C-N 123.703 0.627 . . . . 62.130000000000003 114.374 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.502 HE21 ' HA ' ' A' ' 11' ' ' LEU . 49.4 mt-30 -73.89 -47.09 40.56 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.612 0.765 . . . . 75.099999999999994 111.692 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.0 mt -64.57 -43.24 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 122.703 0.401 . . . . 72.340000000000003 110.706 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -54.07 -50.23 67.23 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.603 1.161 . . . . 65.450000000000003 111.223 175.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.21 -29.29 68.1 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 115.317 -0.856 . . . . 74.140000000000001 111.685 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.51 -35.92 78.16 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.178 0.591 . . . . 74.319999999999993 111.295 173.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.4 HD21 HD11 ' A' ' 25' ' ' LEU . 74.9 mt -81.48 -24.1 36.96 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.615 0.766 . . . . 70.340000000000003 111.774 176.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -63.58 118.97 8.95 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.552 0.741 . . . . 73.299999999999997 111.22 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.72 -35.07 5.17 Favored Glycine 0 CA--C 1.542 1.745 0 CA-C-N 115.951 -0.568 . . . . 72.420000000000002 113.262 -174.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.0 p -90.07 171.66 9.39 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 112.996 0.739 . . . . 63.100000000000001 112.996 -174.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -91.02 2.33 56.39 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.592 0.757 . . . . 72.439999999999998 111.966 173.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.47 147.71 7.37 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 114.45 0.54 . . . . 71.400000000000006 114.45 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 29' ' ' GLN . 6.1 mp -124.9 159.23 31.62 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.135 0.974 . . . . 70.239999999999995 109.535 176.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.2 p -89.67 172.08 9.2 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.718 0.407 . . . . 73.510000000000005 110.367 172.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -52.14 -49.98 62.66 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 113.198 0.814 . . . . 74.540000000000006 113.198 -175.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -70.24 -29.8 66.7 Favored 'General case' 0 CA--C 1.56 1.339 0 N-CA-C 112.53 0.567 . . . . 73.450000000000003 112.53 -176.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.402 ' HB3' HD22 ' A' ' 25' ' ' LEU . 50.9 mt-30 -67.31 -44.55 78.89 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 120.938 0.399 . . . . 75.239999999999995 111.331 173.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -68.84 -33.0 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 123.24 0.616 . . . . 73.349999999999994 111.181 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -52.3 -42.98 64.24 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.528 0.731 . . . . 73.150000000000006 111.613 173.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -69.05 -47.63 64.88 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 122.862 0.465 . . . . 71.5 111.378 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.73 93.79 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 112.943 0.72 . . . . 73.329999999999998 112.943 -175.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.9 p -99.24 -13.33 19.74 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.973 0.909 . . . . 71.219999999999999 112.795 -174.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt 63.44 29.62 15.47 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.414 1.086 . . . . 74.540000000000006 112.781 174.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.432 HD21 HD23 ' A' ' 11' ' ' LEU . 92.2 mt -75.86 118.76 18.99 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.913 0.485 . . . . 74.310000000000002 110.523 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -69.89 -54.11 14.94 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.201 0.6 . . . . 74.439999999999998 111.82 -175.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.6 154.58 17.3 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.211 0.604 . . . . 64.230000000000004 111.25 -174.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -60.72 -38.03 83.72 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 124.639 1.176 . . . . 72.519999999999996 111.465 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -57.01 -50.49 72.56 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.21 1.404 . . . . 72.400000000000006 112.077 -175.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.469 ' HB3' HD12 ' A' ' 11' ' ' LEU . 7.9 m-20 -55.04 -37.29 66.51 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.402 1.081 . . . . 61.509999999999998 112.305 178.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -66.18 -45.35 81.14 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 123.512 0.725 . . . . 74.109999999999999 111.856 176.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -69.54 -38.94 77.69 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 112.612 0.597 . . . . 61.32 112.612 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 mp -71.72 -31.93 67.24 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.353 0.661 . . . . 64.140000000000001 110.914 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.98 -62.36 4.55 Favored Glycine 0 CA--C 1.535 1.313 0 CA-C-N 116.242 -0.435 . . . . 50.020000000000003 112.814 174.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.48 -24.64 63.8 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.778 0.431 . . . . 71.209999999999994 110.986 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.39 -30.68 75.52 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 116.362 -0.381 . . . . 72.239999999999995 112.389 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -75.85 -29.27 58.52 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-O 121.399 0.619 . . . . 74.129999999999995 110.367 172.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.559 HD21 HG12 ' A' ' 55' ' ' VAL . 6.5 mp -65.21 -35.81 82.22 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.091 0.556 . . . . 70.349999999999994 110.881 169.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.2 mt -73.47 -34.79 65.54 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.122 0.569 . . . . 70.129999999999995 110.776 173.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.583 ' HA ' ' HD2' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -59.77 -40.7 89.08 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 123.745 0.818 . . . . 74.540000000000006 112.698 -174.561 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -104.17 6.5 35.72 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.622 0.769 . . . . 74.219999999999999 112.17 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 61.0 38.47 17.33 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.079 0.952 . . . . 62.329999999999998 111.835 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -71.22 -25.1 62.35 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.575 1.15 . . . . 73.109999999999999 111.28 174.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.559 HG12 HD21 ' A' ' 49' ' ' LEU . 32.9 m -134.03 166.72 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-O 122.418 1.104 . . . . 73.439999999999998 113.298 -173.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.693 HG11 ' HZ1' ' A' ' 67' ' ' LYS . 6.1 p -128.95 139.5 51.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 CA-C-N 113.182 -1.827 . . . . 75.030000000000001 109.292 169.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.652 HG23 HG13 ' A' ' 66' ' ' VAL . 75.4 p -100.96 171.22 7.78 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.278 0.631 . . . . 72.129999999999995 111.216 -172.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.469 ' HB3' ' HD2' ' A' ' 65' ' ' PHE . 38.7 t -163.21 165.24 24.61 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.207 1.003 . . . . 75.540000000000006 109.956 172.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.486 ' HB2' HD11 ' B' ' 4' ' ' LEU . 1.8 tm-20 -109.23 118.5 36.88 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.825 0.85 . . . . 75.540000000000006 109.721 178.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -117.8 111.95 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 N-CA-C 109.252 -0.647 . . . . 74.420000000000002 109.252 169.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 62.94 34.98 13.67 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 124.213 1.005 . . . . 74.549999999999997 113.017 173.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.87 13.79 82.78 Favored Glycine 0 CA--C 1.542 1.769 0 N-CA-C 114.355 0.502 . . . . 51.5 114.355 -175.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -116.07 150.85 36.65 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 123.963 0.905 . . . . 73.519999999999996 111.187 -175.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.7 mt -73.44 111.15 7.83 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 123.403 0.681 . . . . 75.329999999999998 110.759 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.469 ' HD2' ' HB3' ' A' ' 58' ' ' SER . 91.5 t80 -117.55 103.09 9.73 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.73 1.212 . . . . 73.340000000000003 109.29 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.652 HG13 HG23 ' A' ' 57' ' ' THR . 34.0 m -110.26 151.32 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 122.834 0.453 . . . . 71.239999999999995 111.016 -176.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.693 ' HZ1' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -151.66 158.79 43.92 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.92 0.888 . . . . 74.239999999999995 109.38 177.763 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.451 HD23 HG11 ' A' ' 55' ' ' VAL . 25.4 mt -61.04 163.69 5.74 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 118.754 0.707 . . . . 75.219999999999999 111.571 176.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 121.945 0.879 . . . . 75.420000000000002 109.803 173.182 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' MET . . . . . 0.519 ' HA ' ' HE3' ' B' ' 3' ' ' MET . 1.2 tpt . . . . . 0 CA--C 1.554 1.119 0 N-CA-C 110.145 -0.317 . . . . 71.019999999999996 110.145 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 59' ' ' GLU . 6.5 mp -59.48 -26.0 64.9 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 123.767 0.827 . . . . 72.209999999999994 111.296 178.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.563 ' HZ2' ' HH2' ' B' ' 48' ' ' TRP . 55.9 tttp -69.98 -50.28 43.3 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.217 1.007 . . . . 73.120000000000005 111.448 173.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -65.16 -48.18 74.41 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 116.273 -0.421 . . . . 74.409999999999997 111.626 -172.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -27.09 67.3 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 116.138 -0.483 . . . . 75.299999999999997 111.672 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.86 99.6 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 122.9 0.48 . . . . 72.430000000000007 110.94 172.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.22 -33.21 68.89 Favored Glycine 0 C--N 1.347 1.166 0 CA-C-N 115.532 -0.758 . . . . 75.5 113.723 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.76 -52.05 54.18 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.299 0.64 . . . . 74.319999999999993 111.378 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.525 HD22 HD22 ' B' ' 36' ' ' LEU . 93.0 mt -62.48 -34.31 76.58 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.654 0.782 . . . . 73.030000000000001 111.517 177.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.99 -38.6 68.05 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.399 0.679 . . . . 71.450000000000003 112.467 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.26 -50.44 67.76 Favored Glycine 0 CA--C 1.541 1.666 0 CA-C-N 115.979 -0.555 . . . . 70.549999999999997 114.181 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -73.79 -33.09 64.07 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 122.911 0.484 . . . . 73.209999999999994 112.147 -177.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.476 HG21 HG22 ' B' ' 30' ' ' ILE . 94.5 mt -64.63 -44.69 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 C-N-CA 122.908 0.483 . . . . 74.230000000000004 110.589 175.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . 0.481 ' CD1' ' HD3' ' B' ' 54' ' ' LYS . 72.2 t90 -61.84 -42.04 98.55 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.28 0.632 . . . . 75.510000000000005 111.436 175.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -60.78 -37.01 80.43 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.194 0.997 . . . . 74.540000000000006 111.382 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.35 86.96 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.053 0.541 . . . . 71.430000000000007 111.583 174.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.466 HD21 HD11 ' B' ' 30' ' ' ILE . 68.3 mt -81.42 -21.34 38.98 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.099 0.96 . . . . 72.239999999999995 111.821 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . 0.66 ' HA ' HD11 ' B' ' 68' ' ' LEU . 28.7 t-20 -71.22 128.9 37.44 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.489 0.716 . . . . 74.409999999999997 111.096 -177.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.07 3.32 74.97 Favored Glycine 0 CA--C 1.539 1.548 0 N-CA-C 114.921 0.729 . . . . 63.310000000000002 114.921 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.9 p -117.14 171.84 7.68 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.723 0.809 . . . . 73.430000000000007 111.322 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.84 -6.95 45.37 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.137 0.975 . . . . 74.409999999999997 112.798 171.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.51 ' HA3' ' HB3' ' B' ' 67' ' ' LYS . . . 98.56 153.97 28.72 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 112.518 -0.233 . . . . 71.25 112.518 -174.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.468 HD21 ' HB3' ' B' ' 29' ' ' GLN . 5.8 mp -127.62 159.1 35.69 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.641 0.776 . . . . 64.349999999999994 110.087 -175.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 67.0 p -81.24 168.92 17.96 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 116.367 -0.379 . . . . 74.099999999999994 110.716 170.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -50.67 -49.77 56.35 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 124.083 0.953 . . . . 74.040000000000006 111.755 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -61.59 -41.52 97.55 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 124.504 1.122 . . . . 75.439999999999998 112.449 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . 0.468 ' HB3' HD21 ' B' ' 25' ' ' LEU . 78.9 mt-30 -67.91 -41.24 82.98 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.334 0.654 . . . . 71.25 112.259 178.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.476 HG22 HG21 ' B' ' 15' ' ' ILE . 83.0 mt -64.81 -38.12 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 123.211 0.604 . . . . 74.299999999999997 110.894 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -56.9 -37.41 71.37 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 122.619 0.368 . . . . 71.219999999999999 111.873 175.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -71.7 -43.98 64.99 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 122.882 0.473 . . . . 73.200000000000003 111.577 174.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.66 -43.36 84.77 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.523 0.729 . . . . 63.219999999999999 112.63 -176.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 63.2 p -91.99 -19.07 22.79 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.397 1.079 . . . . 64.310000000000002 112.162 -176.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm 72.1 37.53 0.98 Allowed 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 125.184 1.394 . . . . 74.450000000000003 111.952 -175.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.525 HD22 HD22 ' B' ' 11' ' ' LEU . 78.0 mt -80.31 120.36 24.27 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 122.093 -0.379 . . . . 73.239999999999995 111.504 173.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -69.93 -58.38 3.92 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.974 0.91 . . . . 75.109999999999999 111.269 177.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.74 128.57 43.82 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.204 0.602 . . . . 63.420000000000002 111.281 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -65.55 -26.51 67.91 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.1 0.96 . . . . 74.310000000000002 111.625 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' B' ' 40' ' ' LYS . 0.0 OUTLIER -55.22 -37.66 67.43 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.98 0.912 . . . . 74.239999999999995 111.988 175.544 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -75.03 -37.23 61.8 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.642 0.777 . . . . 62.549999999999997 111.332 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -56.86 -43.32 81.07 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.528 0.731 . . . . 64.519999999999996 112.159 176.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -65.22 -33.19 75.41 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 112.834 0.679 . . . . 71.409999999999997 112.834 -177.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.72 -35.25 72.62 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.929 0.492 . . . . 71.439999999999998 111.001 174.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . 0.442 ' O ' HD11 ' B' ' 49' ' ' LEU . . . -69.52 -47.33 50.88 Favored Glycine 0 CA--C 1.539 1.562 0 CA-C-N 116.522 -0.308 . . . . 71.340000000000003 113.06 174.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.9 tp -68.17 -29.71 68.64 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.333 1.053 . . . . 75.010000000000005 111.211 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.47 -31.33 68.34 Favored Glycine 0 N--CA 1.472 1.082 0 CA-C-N 115.42 -0.809 . . . . 65.349999999999994 111.707 174.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' TRP . . . . . 0.563 ' HH2' ' HZ2' ' B' ' 5' ' ' LYS . 10.7 t-105 -74.06 -30.7 62.52 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 123.854 0.862 . . . . 51.420000000000002 110.79 173.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.472 HD23 HG12 ' B' ' 55' ' ' VAL . 7.1 mp -63.35 -40.22 96.68 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.319 0.648 . . . . 72.530000000000001 111.172 170.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.76 -34.68 78.37 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.741 0.816 . . . . 73.439999999999998 111.529 172.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.583 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 11.2 ttt85 -58.58 -47.88 82.8 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.531 0.733 . . . . 73.019999999999996 111.247 171.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.49 ' HB2' ' HG2' ' B' ' 54' ' ' LYS . 50.7 mm-40 -79.26 -17.09 55.4 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 116.231 -0.44 . . . . 74.230000000000004 112.038 -175.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 62.03 27.05 16.36 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.611 1.164 . . . . 73.329999999999998 112.558 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.49 ' HG2' ' HB2' ' B' ' 52' ' ' GLU . 15.1 ptpt -91.27 -7.65 50.55 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.644 0.778 . . . . 75.340000000000003 112.318 -178.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.472 HG12 HD23 ' B' ' 49' ' ' LEU . 16.1 m -133.84 162.68 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 CA-C-O 121.631 0.729 . . . . 63.109999999999999 112.526 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.647 HG12 HG23 ' B' ' 69' ' ' VAL . 31.3 m -112.53 133.92 56.76 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 124.628 1.171 . . . . 75.439999999999998 110.278 166.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' THR . . . . . 0.507 ' HA ' HG11 ' B' ' 66' ' ' VAL . 74.9 p -103.93 144.04 32.05 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.559 0.744 . . . . 75.400000000000006 110.093 177.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 89.7 p -149.17 170.64 17.97 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.411 0.685 . . . . 71.040000000000006 110.278 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -116.85 120.87 39.85 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.12 0.968 . . . . 72.519999999999996 109.118 175.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 56.3 t -111.21 107.88 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.395 0.678 . . . . 73.340000000000003 109.62 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 52.27 40.29 28.8 Favored 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 125.304 1.442 . . . . 75.129999999999995 114.088 172.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.05 -7.15 67.02 Favored Glycine 0 CA--C 1.542 1.776 0 N-CA-C 115.038 0.775 . . . . 74.109999999999999 115.038 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -109.2 154.73 21.97 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 117.613 0.706 . . . . 70.329999999999998 111.148 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 58.2 mt -81.11 118.09 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 122.849 0.46 . . . . 75.400000000000006 110.107 175.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -114.92 130.06 56.83 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.71 -0.848 . . . . 74.310000000000002 108.71 172.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.507 HG11 ' HA ' ' B' ' 57' ' ' THR . 33.7 m -135.86 154.82 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 123.004 0.522 . . . . 64.230000000000004 111.121 -176.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.51 ' HB3' ' HA3' ' B' ' 24' ' ' GLY . 20.8 ptmt -160.69 -178.44 6.86 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.209 0.604 . . . . 70.120000000000005 110.134 176.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.66 HD11 ' HA ' ' B' ' 20' ' ' ASN . 14.5 mt -76.25 -179.19 4.91 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 112.516 0.561 . . . . 71.530000000000001 112.516 -175.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.647 HG23 HG12 ' B' ' 56' ' ' VAL . 4.4 t . . . . . 0 N--CA 1.495 1.786 0 C-N-CA 123.815 0.846 . . . . 75.150000000000006 110.427 168.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.483 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 8.7 mp . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.089 0.471 . . . . 74.120000000000005 111.384 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -74.94 -45.74 40.4 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.35 1.06 . . . . 72.230000000000004 110.774 172.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -71.9 -41.25 68.18 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 115.628 -0.714 . . . . 64.129999999999995 111.918 -173.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.483 ' HG2' ' HA ' ' A' ' 4' ' ' LEU . 20.2 ptmt -60.74 -37.25 81.13 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.629 0.371 . . . . 71.25 111.306 175.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.445 ' N ' ' HG3' ' A' ' 7' ' ' LYS . . . -61.44 -32.41 72.38 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.646 0.779 . . . . 61.43 110.852 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.32 -36.81 59.45 Favored Glycine 0 CA--C 1.537 1.469 0 CA-C-N 114.97 -1.014 . . . . 62.210000000000001 113.298 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.65 82.48 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.076 0.55 . . . . 65.25 111.17 175.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.07 -36.32 81.75 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.075 0.95 . . . . 72.420000000000002 110.593 175.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.453 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -58.97 -29.74 67.4 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.836 -0.62 . . . . 70.450000000000003 112.216 175.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.86 -54.98 29.49 Favored Glycine 0 CA--C 1.534 1.273 0 O-C-N 123.418 0.449 . . . . 62.240000000000002 113.156 174.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -74.96 -37.44 61.96 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 113.122 0.786 . . . . 74.420000000000002 113.122 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.571 HG21 HG22 ' A' ' 30' ' ' ILE . 83.0 mt -67.93 -41.33 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 123.195 0.598 . . . . 61.409999999999997 111.012 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -65.65 -41.86 92.08 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 122.829 0.452 . . . . 71.420000000000002 111.224 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -62.21 -29.55 70.46 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 112.397 0.517 . . . . 73.409999999999997 112.397 176.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.44 91.04 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 121.238 0.542 . . . . 72.450000000000003 110.925 172.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.537 ' HA ' HD11 ' A' ' 25' ' ' LEU . 51.4 mt -80.38 -23.71 40.27 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.466 1.106 . . . . 72.329999999999998 112.121 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -69.91 133.63 47.54 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.643 0.777 . . . . 73.420000000000002 111.516 -174.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.38 10.77 75.43 Favored Glycine 0 CA--C 1.538 1.525 0 CA-C-N 115.702 -0.681 . . . . 74.030000000000001 114.008 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 m -127.33 159.98 32.76 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.995 0.918 . . . . 75.329999999999998 110.645 -177.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -59.75 -30.03 68.56 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.452 1.101 . . . . 64.400000000000006 113.366 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.648 ' HA3' ' HG2' ' A' ' 67' ' ' LYS . . . 133.11 141.69 4.64 Favored Glycine 0 N--CA 1.477 1.405 0 N-CA-C 111.853 -0.499 . . . . 62.240000000000002 111.853 -171.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.537 HD11 ' HA ' ' A' ' 19' ' ' LEU . 7.0 mp -123.68 153.36 40.92 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.329 0.652 . . . . 73.349999999999994 111.334 -170.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.7 p -84.89 -177.54 6.6 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.492 0.717 . . . . 75.129999999999995 110.454 171.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.411 ' HG2' ' CE2' ' A' ' 42' ' ' PHE . 42.4 mt-30 -57.07 -49.62 75.3 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 119.278 -0.392 . . . . 74.549999999999997 111.592 173.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -58.53 -43.0 89.06 Favored 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 123.519 0.728 . . . . 74.400000000000006 112.347 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 19.3 mm-40 -67.0 -44.65 79.84 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 115.883 -0.599 . . . . 74.150000000000006 111.98 -176.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.571 HG22 HG21 ' A' ' 15' ' ' ILE . 73.0 mt -67.55 -42.2 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 C-N-CA 122.666 0.386 . . . . 73.319999999999993 110.44 175.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 42.3 tttp -55.88 -35.67 66.76 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 125.367 1.467 . . . . 75.340000000000003 111.426 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -66.41 -52.31 47.93 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-N 114.989 -1.005 . . . . 74.349999999999994 111.061 172.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.49 -22.06 59.26 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 113.611 0.967 . . . . 75.5 113.611 -172.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.8 p -108.8 -19.02 13.56 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.717 0.807 . . . . 74.129999999999995 112.394 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm 67.97 32.39 5.12 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.441 1.096 . . . . 74.120000000000005 112.121 177.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.8 mt -87.87 96.55 10.52 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.733 0.413 . . . . 64.150000000000006 110.652 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -39.93 93.1 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 123.955 0.902 . . . . 72.549999999999997 111.637 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.35 119.95 33.88 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.742 0.817 . . . . 74.200000000000003 110.352 177.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -67.72 -24.4 65.37 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 122.673 0.389 . . . . 64.310000000000002 111.704 176.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -52.04 -41.61 62.44 Favored 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 123.865 0.866 . . . . 73.430000000000007 111.251 174.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -69.99 -44.27 69.72 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.405 1.082 . . . . 74.239999999999995 109.786 177.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.411 ' CE2' ' HG2' ' A' ' 27' ' ' GLN . 52.0 t80 -57.36 -44.0 83.97 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.791 1.236 . . . . 64.310000000000002 113.108 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -63.47 -32.78 74.32 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 123.455 0.702 . . . . 72.439999999999998 112.541 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.75 -43.38 93.51 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 122.923 0.489 . . . . 75.439999999999998 111.028 174.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.529 ' HA3' HD11 ' A' ' 15' ' ' ILE . . . -67.99 -48.92 51.25 Favored Glycine 0 C--N 1.35 1.354 0 CA-C-N 116.307 -0.406 . . . . 75.519999999999996 113.412 177.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.64 HD11 HG11 ' A' ' 66' ' ' VAL . 58.9 tp -65.15 -32.58 74.34 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.834 0.854 . . . . 73.120000000000005 111.482 178.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.79 -31.6 76.14 Favored Glycine 0 N--CA 1.47 0.959 0 CA-C-N 115.304 -0.862 . . . . 54.439999999999998 111.824 175.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.528 ' HA ' ' HB3' ' A' ' 51' ' ' ARG . 20.8 t-105 -74.55 -27.94 60.73 Favored 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 123.279 0.631 . . . . 75.209999999999994 110.721 174.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.518 HD23 HG13 ' A' ' 55' ' ' VAL . 6.6 mp -64.65 -39.09 93.08 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 123.018 0.527 . . . . 75.140000000000001 111.314 171.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.491 HD22 HG23 ' A' ' 57' ' ' THR . 68.5 mt -68.93 -35.39 76.74 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.902 0.481 . . . . 71.349999999999994 111.141 172.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.528 ' HB3' ' HA ' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -60.41 -42.13 95.35 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.073 0.949 . . . . 74.349999999999994 110.698 175.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -83.06 -11.51 57.97 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.272 0.629 . . . . 74.200000000000003 112.191 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 70.44 18.84 6.53 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 125.374 1.47 . . . . 75.530000000000001 112.464 -176.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -79.36 -14.93 58.65 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 113.782 1.03 . . . . 73.120000000000005 113.782 -174.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.518 HG13 HD23 ' A' ' 49' ' ' LEU . 32.7 m -132.88 154.2 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 N-CA-C 113.35 0.87 . . . . 74.25 113.35 -176.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -105.03 129.7 57.29 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 CA-C-N 114.686 -1.143 . . . . 75.239999999999995 109.201 171.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.491 HG23 HD22 ' A' ' 50' ' ' LEU . 15.5 p -101.69 134.21 45.19 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.746 0.784 . . . . 73.510000000000005 111.681 -176.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.3 t -146.01 171.63 14.58 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.199 1.4 . . . . 62.020000000000003 108.405 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -126.86 119.87 27.84 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.76 -0.459 . . . . 73.010000000000005 109.76 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.4 t -104.82 110.5 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.136 0.974 . . . . 75.540000000000006 109.821 178.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 51.37 42.1 28.83 Favored 'General case' 0 CA--C 1.564 1.514 0 C-N-CA 125.518 1.527 . . . . 73.510000000000005 113.677 170.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.18 8.34 61.54 Favored Glycine 0 CA--C 1.537 1.466 0 N-CA-C 115.274 0.869 . . . . 73.200000000000003 115.274 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -136.07 154.47 51.01 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 118.017 0.908 . . . . 75.420000000000002 110.777 176.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 61.6 mt -76.76 130.48 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 122.983 0.513 . . . . 74.519999999999996 110.857 -176.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -128.6 129.53 46.05 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.584 1.153 . . . . 73.120000000000005 109.766 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.64 HG11 HD11 ' A' ' 46' ' ' LEU . 25.7 m -131.6 151.07 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.332 0.653 . . . . 74.140000000000001 112.141 -175.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.648 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 38.6 mtmm -134.96 161.4 35.38 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.793 0.837 . . . . 74.439999999999998 109.671 176.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.0 mt -77.3 136.48 38.48 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 117.768 0.258 . . . . 70.120000000000005 111.514 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 122.012 0.911 . . . . 73.439999999999998 109.668 172.199 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' MET . . . . . 0.433 ' HA ' ' HE1' ' B' ' 3' ' ' MET . 31.3 mmt . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 114.203 1.186 . . . . 71.400000000000006 114.203 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.65 -26.76 66.38 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.405 1.082 . . . . 74.200000000000003 111.929 -175.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -74.44 -38.46 63.0 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.039 0.447 . . . . 71.129999999999995 110.531 172.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -77.24 -39.18 49.36 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 112.781 0.66 . . . . 73.329999999999998 112.781 -173.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -26.34 68.52 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 118.05 0.387 . . . . 74.209999999999994 111.61 175.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.36 -41.46 84.79 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.516 0.726 . . . . 74.450000000000003 111.475 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.13 -35.44 64.27 Favored Glycine 0 CA--C 1.539 1.581 0 CA-C-N 115.794 -0.639 . . . . 72.319999999999993 114.427 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.27 -46.98 72.07 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 121.236 0.541 . . . . 65.530000000000001 111.307 177.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.45 HD13 ' HB3' ' B' ' 41' ' ' ASP . 88.6 mt -68.94 -30.44 68.89 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.612 0.765 . . . . 74.200000000000003 111.266 176.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.03 81.84 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.646 0.779 . . . . 74.430000000000007 111.774 174.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.33 -45.3 92.97 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-N 115.725 -0.671 . . . . 52.119999999999997 112.829 173.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.45 -50.48 63.19 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.731 0.812 . . . . 73.450000000000003 111.643 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.569 HG23 HG21 ' B' ' 30' ' ' ILE . 82.6 mt -60.65 -44.52 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 124.192 0.997 . . . . 75.200000000000003 111.784 -177.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -63.68 -43.39 96.81 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 116.156 -0.474 . . . . 75.439999999999998 111.309 177.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -64.2 -28.39 69.72 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 112.506 0.558 . . . . 75.420000000000002 112.506 177.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.99 89.05 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 121.181 0.515 . . . . 72.340000000000003 110.962 172.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.427 HD23 HD12 ' B' ' 30' ' ' ILE . 79.7 mt -79.48 -24.58 42.24 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.215 1.006 . . . . 75.140000000000001 111.966 177.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -68.21 126.89 30.98 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.005 0.922 . . . . 75.099999999999994 111.22 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.02 10.9 84.17 Favored Glycine 0 CA--C 1.54 1.602 0 CA-C-N 115.919 -0.582 . . . . 72.209999999999994 113.681 -174.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.6 m -126.42 159.33 33.6 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.821 0.848 . . . . 74.349999999999994 111.079 -175.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -66.19 -25.22 66.84 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.767 1.227 . . . . 73.349999999999994 113.076 175.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.47 145.76 6.73 Favored Glycine 0 C--N 1.348 1.21 0 N-CA-C 112.206 -0.358 . . . . 74.319999999999993 112.206 -171.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.434 HD22 ' HB3' ' B' ' 29' ' ' GLN . 4.8 mp -126.49 161.08 28.79 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.102 0.561 . . . . 74.310000000000002 110.523 -177.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 69.8 p -81.03 171.56 14.82 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 116.187 -0.46 . . . . 73.299999999999997 110.484 172.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -47.23 82.42 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 112.324 0.49 . . . . 73.439999999999998 112.324 -176.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -65.72 -41.32 92.43 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.268 0.627 . . . . 74.150000000000006 111.733 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . 0.434 ' HB3' HD22 ' B' ' 25' ' ' LEU . 48.8 mt-30 -58.44 -43.25 88.7 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.261 0.624 . . . . 70.329999999999998 111.902 179.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.569 HG21 HG23 ' B' ' 15' ' ' ILE . 73.9 mt -71.84 -46.45 60.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.245 0.618 . . . . 73.120000000000005 111.28 178.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -56.85 -33.13 66.49 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 123.254 0.622 . . . . 74.340000000000003 111.99 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -70.18 -53.14 18.43 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 123.272 0.629 . . . . 72.340000000000003 111.581 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.57 -48.69 79.8 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.657 0.783 . . . . 73.530000000000001 112.285 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.43 ' OG1' ' HG ' ' B' ' 36' ' ' LEU . 49.9 p -83.53 -12.82 55.73 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 124.329 1.052 . . . . 74.200000000000003 112.171 -179.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.56 ' HZ1' ' HB2' ' B' ' 35' ' ' LYS . 0.0 OUTLIER 68.1 38.57 2.64 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 125.246 1.418 . . . . 65.510000000000005 112.588 175.046 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' B' ' 41' ' ' ASP . 86.9 mt -65.39 148.9 50.9 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.617 0.767 . . . . 73.530000000000001 111.511 175.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -93.3 -50.99 5.2 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.2 0.6 . . . . 73.530000000000001 111.073 -178.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.73 157.91 17.1 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.616 0.766 . . . . 74.329999999999998 111.201 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.49 -32.51 73.98 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 115.336 -0.847 . . . . 74.420000000000002 110.09 165.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -59.66 -36.36 76.27 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.11 0.964 . . . . 73.310000000000002 112.078 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . 0.45 ' HB3' HD13 ' B' ' 11' ' ' LEU . 66.3 m-20 -63.26 -34.92 78.72 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.454 0.702 . . . . 64.310000000000002 110.874 175.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -74.69 -40.08 61.58 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 115.592 -0.731 . . . . 74.329999999999998 111.807 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -66.42 -43.95 84.28 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 122.717 0.407 . . . . 72.420000000000002 111.925 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.51 -37.35 74.14 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.215 0.606 . . . . 71.329999999999998 110.714 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . 0.486 ' HA3' HD13 ' B' ' 15' ' ' ILE . . . -63.94 -56.62 17.58 Favored Glycine 0 CA--C 1.538 1.499 0 CA-C-N 116.369 -0.378 . . . . 74.239999999999995 113.246 176.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.85 -28.6 69.1 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 123.44 0.696 . . . . 65.219999999999999 110.486 177.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.09 -31.61 81.37 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 115.952 -0.567 . . . . 74.420000000000002 112.233 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' TRP . . . . . 0.461 ' HA ' ' HG3' ' B' ' 51' ' ' ARG . 12.9 t-105 -73.42 -34.34 65.4 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-O 120.924 0.392 . . . . 75.319999999999993 110.278 173.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.574 HD22 HG11 ' B' ' 55' ' ' VAL . 6.5 mp -62.3 -32.79 73.58 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.073 0.549 . . . . 71.150000000000006 111.283 171.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 84.2 mt -71.05 -38.84 72.53 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.322 0.649 . . . . 74.239999999999995 111.888 175.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.461 ' HG3' ' HA ' ' B' ' 48' ' ' TRP . 0.1 OUTLIER -74.39 -21.41 59.66 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.944 -0.473 . . . . 64.099999999999994 111.794 176.341 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -85.22 -16.16 41.18 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.725 0.41 . . . . 74.040000000000006 111.102 170.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 27.8 t70 67.5 22.49 9.26 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 125.246 1.418 . . . . 72.329999999999998 111.579 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -88.14 -6.85 57.65 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.118 0.784 . . . . 73.409999999999997 113.118 -176.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.574 HG11 HD22 ' B' ' 49' ' ' LEU . 33.4 m -134.18 161.7 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 CA-C-O 122.066 0.936 . . . . 75.25 112.969 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -129.63 130.34 66.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 113.937 -1.483 . . . . 75.319999999999993 108.466 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' THR . . . . . 0.624 HG21 HG13 ' B' ' 66' ' ' VAL . 76.2 p -105.01 132.05 51.75 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.498 0.719 . . . . 72.120000000000005 110.246 -170.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 50.3 p -139.42 163.75 31.7 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.085 0.954 . . . . 73.230000000000004 109.881 -175.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -109.65 119.31 39.01 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.614 0.366 . . . . 75.409999999999997 110.953 -176.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 73.6 t -110.1 109.33 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 108.803 -0.814 . . . . 74.549999999999997 108.803 169.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 54.45 50.88 15.18 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 125.029 1.332 . . . . 74.310000000000002 113.067 175.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.14 7.62 86.81 Favored Glycine 0 CA--C 1.54 1.615 0 N-CA-C 115.195 0.838 . . . . 64.239999999999995 115.195 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -122.66 156.9 33.4 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 117.841 0.82 . . . . 75.239999999999995 111.819 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 57.9 mt -80.99 116.26 24.99 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.066 0 CA-C-N 115.608 -0.724 . . . . 65.340000000000003 110.781 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -116.19 103.82 10.91 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.029 1.332 . . . . 75.219999999999999 108.693 177.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.624 HG13 HG21 ' B' ' 57' ' ' THR . 19.0 m -98.42 146.52 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 122.742 0.417 . . . . 73.299999999999997 110.23 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -153.96 154.85 34.54 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.963 0.505 . . . . 73.209999999999994 110.033 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.518 HD22 HG13 ' B' ' 55' ' ' VAL . 61.6 mt -68.56 150.13 48.39 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 118.048 0.386 . . . . 72.109999999999999 111.984 -176.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.484 1.243 0 CA-C-O 121.958 0.885 . . . . 70.319999999999993 109.626 175.106 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.9 mt . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 112.006 0.373 . . . . 74.329999999999998 112.006 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -65.15 -34.1 77.58 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 123.544 0.738 . . . . 74.450000000000003 111.008 173.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -68.91 -51.31 41.31 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.571 0.748 . . . . 72.140000000000001 111.175 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -22.54 62.87 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 112.277 0.473 . . . . 73.329999999999998 112.277 -175.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.68 -36.87 82.12 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.811 0.445 . . . . 75.329999999999998 110.689 169.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.11 -32.07 72.57 Favored Glycine 0 CA--C 1.538 1.519 0 CA-C-N 115.308 -0.86 . . . . 73.310000000000002 113.958 172.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.59 -45.42 75.57 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 122.986 0.515 . . . . 74.010000000000005 111.443 174.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.06 -39.47 89.99 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.534 0.734 . . . . 72.400000000000006 110.71 173.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.527 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -59.5 -43.12 93.42 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.848 0.859 . . . . 72.439999999999998 112.367 174.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.466 ' O ' ' HG2' ' A' ' 17' ' ' GLU . . . -57.19 -53.87 41.39 Favored Glycine 0 C--N 1.344 1.013 0 CA-C-N 115.069 -0.969 . . . . 64.349999999999994 113.771 -178.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -65.35 -32.81 74.65 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.401 0.519 . . . . 72.340000000000003 112.401 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.523 HG23 HG21 ' A' ' 30' ' ' ILE . 87.5 mt -68.14 -44.42 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 123.037 0.535 . . . . 74.109999999999999 111.053 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.448 ' NE1' ' HG2' ' A' ' 54' ' ' LYS . 51.9 t90 -66.49 -43.24 85.91 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 119.7 -0.191 . . . . 73.430000000000007 110.892 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 13' ' ' GLY . 44.4 mm-40 -64.83 -31.4 72.61 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 117.813 0.279 . . . . 71.349999999999994 111.203 178.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.66 -29.46 66.91 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.229 0.612 . . . . 75.329999999999998 111.694 173.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.5 mt -91.75 -10.94 38.22 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.664 0.786 . . . . 71.329999999999998 112.725 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -69.97 125.27 26.25 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 121.983 -0.448 . . . . 74.010000000000005 109.948 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.93 3.73 85.26 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-N 116.238 -0.437 . . . . 53.43 113.234 -174.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.9 p -112.39 152.73 28.29 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.473 0.709 . . . . 73.430000000000007 109.832 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -83.48 -7.27 59.57 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.009 0.524 . . . . 75.120000000000005 112.314 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.53 126.63 3.21 Favored Glycine 0 C--N 1.354 1.537 0 C-N-CA 123.014 0.34 . . . . 61.439999999999998 113.475 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mp -124.66 171.39 10.1 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.794 0.838 . . . . 72.129999999999995 110.804 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 65' ' ' PHE . 42.7 p -85.68 168.19 14.61 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.693 0.397 . . . . 65.319999999999993 110.478 176.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.439 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -65.43 -37.24 86.34 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 113.266 0.839 . . . . 75.420000000000002 113.266 -166.011 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -70.54 -32.31 69.69 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.714 0.806 . . . . 74.129999999999995 111.863 177.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -67.9 -41.33 82.85 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.257 0.623 . . . . 74.010000000000005 111.318 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.523 HG21 HG23 ' A' ' 15' ' ' ILE . 21.9 mt -67.67 -39.01 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 C-N-CA 122.879 0.472 . . . . 73.109999999999999 110.291 176.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -58.17 -32.71 68.49 Favored 'General case' 0 CA--C 1.559 1.327 0 C-N-CA 124.57 1.148 . . . . 75.519999999999996 111.333 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -66.5 -53.93 29.61 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.637 0.775 . . . . 75.219999999999999 111.299 169.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.66 -34.9 71.75 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.94 0.896 . . . . 72.129999999999995 112.568 -174.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.2 p -94.92 -18.55 21.02 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.274 1.029 . . . . 65.519999999999996 112.373 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 63.51 25.31 14.39 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 124.487 1.115 . . . . 73.430000000000007 112.613 -177.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.88 119.96 12.22 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.08 0.552 . . . . 74.230000000000004 110.306 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -71.71 -32.37 67.73 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 112.581 0.585 . . . . 74.140000000000001 112.581 -170.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.62 143.69 44.99 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 121.446 0.641 . . . . 71.549999999999997 110.681 173.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -66.85 -24.62 66.17 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.761 0.824 . . . . 75.329999999999998 110.662 170.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -61.27 -45.29 95.13 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.408 1.083 . . . . 74.439999999999998 113.023 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -75.74 -28.12 58.38 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.041 0.448 . . . . 55.520000000000003 110.771 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 81.6 t80 -58.97 -39.89 83.13 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.497 0.719 . . . . 73.239999999999995 111.165 167.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.551 ' HE2' ' HD2' ' B' ' 40' ' ' LYS . 22.0 m-85 -65.94 -32.95 74.74 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 122.758 0.423 . . . . 74.230000000000004 111.961 177.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -68.21 -39.25 82.44 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.994 0.517 . . . . 73.129999999999995 110.933 173.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.416 ' HA3' HD13 ' A' ' 15' ' ' ILE . . . -71.19 -62.13 3.65 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 116.337 -0.392 . . . . 54.210000000000001 113.38 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.443 HD11 HG11 ' A' ' 66' ' ' VAL . 58.0 tp -56.66 -34.2 67.12 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 124.364 1.066 . . . . 73.200000000000003 112.339 175.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.9 -32.48 82.85 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 116.122 -0.49 . . . . 54.210000000000001 112.458 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.527 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 38.1 t-105 -75.83 -24.32 55.81 Favored 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 123.16 0.584 . . . . 75.109999999999999 110.985 172.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.572 HD21 HG12 ' A' ' 55' ' ' VAL . 6.6 mp -67.42 -30.47 70.24 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.879 -0.513 . . . . 75.329999999999998 111.136 169.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.517 HD23 HG21 ' A' ' 57' ' ' THR . 89.7 mt -75.37 -33.98 61.09 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.63 0.772 . . . . 74.420000000000002 111.252 171.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HG2' ' HA ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -55.75 -45.85 77.95 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.245 1.018 . . . . 73.109999999999999 109.922 170.447 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -77.37 -22.44 51.7 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 123.881 0.872 . . . . 72.329999999999998 111.18 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.0 t70 62.7 22.1 13.14 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.746 1.219 . . . . 73.420000000000002 110.727 -173.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.448 ' HG2' ' NE1' ' A' ' 16' ' ' TRP . 23.3 ttpp -88.93 1.96 54.59 Favored 'General case' 0 CA--C 1.565 1.552 0 C-N-CA 125.075 1.35 . . . . 73.040000000000006 112.199 -174.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.572 HG12 HD21 ' A' ' 49' ' ' LEU . 33.6 m -134.07 169.07 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 CA-C-O 121.444 0.64 . . . . 72.239999999999995 111.814 169.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.4 t -117.13 130.53 71.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 C-N-CA 124.897 1.279 . . . . 75.5 109.668 172.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.517 HG21 HD23 ' A' ' 50' ' ' LEU . 21.2 p -103.43 133.53 48.33 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.395 0.678 . . . . 73.030000000000001 110.864 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.0 t -144.27 169.75 17.3 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.256 1.022 . . . . 72.209999999999994 110.293 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.449 ' HB2' HD11 ' B' ' 4' ' ' LEU . 32.2 tt0 -114.31 114.78 26.39 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.97 0.908 . . . . 74.310000000000002 109.937 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.586 HG11 ' HG2' ' A' ' 61' ' ' GLU . 76.1 t -131.71 127.91 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 123.477 0.711 . . . . 73.540000000000006 109.648 174.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.586 ' HG2' HG11 ' A' ' 60' ' ' VAL . 10.8 mm-40 62.73 31.33 16.66 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.164 1.386 . . . . 72.510000000000005 112.46 176.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 73.05 20.53 80.0 Favored Glycine 0 C--N 1.354 1.575 0 CA-C-N 116.256 -0.429 . . . . 53.200000000000003 114.007 -178.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -136.37 162.87 31.84 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.127 0.571 . . . . 75.549999999999997 111.357 -177.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.406 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 56.0 mt -72.23 104.75 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.117 0 C-N-CA 123.574 0.75 . . . . 75.230000000000004 110.553 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.423 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 86.0 t80 -100.73 121.27 41.38 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.716 0.806 . . . . 75.129999999999995 109.377 173.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.443 HG11 HD11 ' A' ' 46' ' ' LEU . 22.7 m -124.66 156.93 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-O 121.563 0.697 . . . . 63.130000000000003 111.695 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -143.81 159.44 42.52 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 114.713 -1.13 . . . . 63.439999999999998 108.812 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.0 mt -73.92 158.8 33.77 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 118.201 0.455 . . . . 73.420000000000002 110.808 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 51.2 t . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 108.29 -1.004 . . . . 74.340000000000003 108.29 168.205 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' MET . . . . . 0.647 ' HB2' ' HG2' ' B' ' 6' ' ' GLU . 89.6 mmm . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.396 -0.224 . . . . 75.549999999999997 110.396 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.479 ' HB2' ' HB ' ' A' ' 57' ' ' THR . 8.3 mp -68.12 -17.88 64.48 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 122.975 0.51 . . . . 73.030000000000001 111.276 176.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -65.4 -43.51 90.38 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.075 0.95 . . . . 74.540000000000006 110.617 169.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.647 ' HG2' ' HB2' ' B' ' 3' ' ' MET . 11.3 mm-40 -74.76 -27.73 60.46 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 115.552 -0.749 . . . . 73.219999999999999 111.474 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.516 ' HZ3' HD22 ' B' ' 11' ' ' LEU . 5.9 tmtt? -62.26 -50.9 69.85 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 123.995 0.918 . . . . 74.129999999999995 109.109 174.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.11 -43.33 95.7 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.15 0.98 . . . . 75.129999999999995 112.052 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.31 -35.79 90.78 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 115.871 -0.604 . . . . 62.310000000000002 114.308 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.44 -32.3 71.17 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.371 0.669 . . . . 71.299999999999997 112.222 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.516 HD22 ' HZ3' ' B' ' 7' ' ' LYS . 89.8 mt -76.6 -28.21 56.08 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.153 0.581 . . . . 75.439999999999998 111.584 175.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.89 -55.7 29.47 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.054 1.131 . . . . 74.230000000000004 114.054 -174.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.4 -50.75 63.72 Favored Glycine 0 CA--C 1.537 1.449 0 N-CA-C 114.541 0.576 . . . . 71.230000000000004 114.541 -176.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -65.03 -36.95 86.0 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.679 0.792 . . . . 63.340000000000003 112.997 -178.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.9 -44.74 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 C-N-CA 122.805 0.442 . . . . 74.400000000000006 110.471 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -54.7 -45.27 73.98 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.743 0.817 . . . . 75.129999999999995 111.094 175.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.02 -25.93 66.53 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.921 0.888 . . . . 74.239999999999995 112.291 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.63 -40.21 76.67 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.791 0.436 . . . . 63.310000000000002 111.282 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.449 HD23 HG11 ' B' ' 66' ' ' VAL . 9.0 mp -79.37 -17.99 53.32 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.417 0.687 . . . . 75.120000000000005 112.121 176.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -67.28 127.09 31.34 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.725 0.41 . . . . 62.130000000000003 110.661 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.0 -18.33 46.53 Favored Glycine 0 CA--C 1.538 1.473 0 CA-C-N 116.174 -0.466 . . . . 75.439999999999998 112.672 -173.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 24.4 p -112.63 170.96 7.82 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.589 0.756 . . . . 72.310000000000002 110.249 174.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -107.29 21.4 17.57 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 122.864 0.466 . . . . 75.439999999999998 110.708 174.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.8 142.34 3.7 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 114.072 177.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 94.4 mt -137.74 160.8 38.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.443 1.097 . . . . 71.239999999999995 110.15 174.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.408 ' H ' ' NE2' ' B' ' 29' ' ' GLN . 70.6 p -102.6 162.86 12.58 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.267 0.627 . . . . 64.109999999999999 110.509 173.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -59.77 -30.71 69.07 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 113.611 0.967 . . . . 73.019999999999996 113.611 -170.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -66.23 -41.49 89.98 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.061 0.944 . . . . 72.150000000000006 111.851 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . 0.408 ' NE2' ' H ' ' B' ' 26' ' ' THR . 49.3 mt-30 -67.8 -41.66 82.8 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.493 0.717 . . . . 74.040000000000006 111.18 178.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 23.7 mt -72.88 -33.84 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 115.556 -0.747 . . . . 71.340000000000003 111.072 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -56.56 -47.34 79.68 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.406 1.083 . . . . 75.209999999999994 111.038 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -70.8 -38.84 73.34 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.559 0.744 . . . . 75.239999999999995 112.665 175.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.66 -51.46 62.46 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.243 0.617 . . . . 71.0 112.365 -176.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 70.7 p -87.08 -16.84 34.37 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.963 0.905 . . . . 72.129999999999995 111.997 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm 60.3 31.97 20.59 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 124.432 1.093 . . . . 75.310000000000002 113.035 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.65 152.34 31.04 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.386 0.675 . . . . 61.43 111.668 176.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -69.57 -41.43 75.84 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.042 0.537 . . . . 75.109999999999999 112.074 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.05 161.63 36.91 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.584 0.707 . . . . 75.140000000000001 112.082 -177.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -71.33 -26.05 62.66 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 115.085 -0.961 . . . . 72.409999999999997 110.797 170.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.551 ' HD2' ' HE2' ' A' ' 43' ' ' PHE . 34.2 mmtp -59.84 -45.44 92.4 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.337 1.055 . . . . 75.319999999999993 113.328 -178.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -75.87 -33.87 59.99 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.554 0.342 . . . . 70.150000000000006 110.342 177.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -54.66 -38.48 66.99 Favored 'General case' 0 CA--C 1.564 1.482 0 C-N-CA 123.693 0.797 . . . . 74.239999999999995 112.071 171.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -62.42 -34.69 77.25 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 122.844 0.457 . . . . 72.329999999999998 112.11 177.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.43 -36.04 71.14 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.383 0.673 . . . . 73.420000000000002 110.619 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . 0.445 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -66.22 -55.62 17.83 Favored Glycine 0 CA--C 1.538 1.515 0 CA-C-N 116.194 -0.457 . . . . 74.430000000000007 113.305 178.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.24 -28.66 68.9 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.319 0.647 . . . . 73.219999999999999 110.416 178.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.99 -37.8 94.7 Favored Glycine 0 C--N 1.347 1.184 0 CA-C-N 115.665 -0.698 . . . . 70.099999999999994 111.705 176.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' TRP . . . . . 0.526 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 33.1 t-105 -69.35 -29.49 67.31 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 122.777 0.431 . . . . 74.430000000000007 110.761 175.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.459 HD22 HG12 ' B' ' 55' ' ' VAL . 5.3 mp -64.41 -33.22 75.37 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 122.999 0.519 . . . . 71.420000000000002 111.492 171.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.0 mt -69.5 -35.47 75.56 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.56 0.744 . . . . 75.310000000000002 112.281 175.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' B' ' 48' ' ' TRP . 1.6 ppt_? -71.73 -29.35 64.44 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 118.172 0.442 . . . . 74.310000000000002 110.662 177.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -81.69 -12.3 58.7 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.94 0.896 . . . . 71.200000000000003 111.882 175.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 64.18 18.74 11.44 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 125.127 1.371 . . . . 73.409999999999997 112.249 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.52 ' HB2' ' HZ3' ' B' ' 54' ' ' LYS . 10.2 mtmp? -86.38 -2.22 58.23 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.838 0.681 . . . . 72.120000000000005 112.838 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.596 ' HA ' ' H ' ' B' ' 69' ' ' VAL . 33.3 m -138.67 167.03 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 CA-C-O 121.908 0.861 . . . . 71.340000000000003 112.427 176.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.68 HG11 ' HZ1' ' B' ' 67' ' ' LYS . 8.0 p -144.95 143.69 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 CA-C-N 114.132 -1.394 . . . . 55.439999999999998 109.137 171.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 73.7 p -109.27 149.47 29.39 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.394 0.677 . . . . 71.230000000000004 111.488 -170.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 66.7 m -146.84 170.53 16.85 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.495 1.118 . . . . 60.509999999999998 110.161 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -117.36 107.04 13.88 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.436 -0.579 . . . . 75.400000000000006 109.436 172.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 42.1 t -115.74 116.33 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 123.593 0.757 . . . . 75.200000000000003 109.571 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 58.51 31.46 21.03 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.614 1.166 . . . . 72.219999999999999 112.804 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.05 8.9 87.23 Favored Glycine 0 CA--C 1.542 1.765 0 N-CA-C 114.562 0.585 . . . . 74.120000000000005 114.562 -176.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -103.23 144.08 31.8 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.07 0.948 . . . . 73.439999999999998 111.702 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 54.3 mt -72.1 101.14 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-O 121.12 0.486 . . . . 72.519999999999996 109.715 170.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -103.26 101.68 11.62 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 123.941 0.896 . . . . 71.140000000000001 110.315 -174.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.449 HG11 HD23 ' B' ' 19' ' ' LEU . 7.4 p -106.17 138.81 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 123.721 0.808 . . . . 74.209999999999994 110.088 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.68 ' HZ1' HG11 ' B' ' 56' ' ' VAL . 0.0 OUTLIER -145.09 149.46 35.1 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 112.236 0.458 . . . . 75.310000000000002 112.236 -173.629 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 42.7 mt -71.06 78.08 0.67 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.557 0.743 . . . . 72.200000000000003 112.251 -175.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.596 ' H ' ' HA ' ' B' ' 55' ' ' VAL . 13.6 p . . . . . 0 N--CA 1.497 1.908 0 C-N-CA 126.442 1.897 . . . . 65.25 113.223 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.418 HD21 ' HD2' ' A' ' 7' ' ' LYS . 2.1 tm? . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 121.162 0.506 . . . . 71.040000000000006 109.967 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -67.71 -36.76 81.2 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.548 0.739 . . . . 75.340000000000003 111.416 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -68.49 -42.5 78.54 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.763 0.653 . . . . 72.420000000000002 112.763 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.418 ' HD2' HD21 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -66.99 -41.83 86.07 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 117.58 0.173 . . . . 74.420000000000002 111.347 177.794 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.78 87.01 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.34 0.656 . . . . 75.030000000000001 111.181 177.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.44 -38.09 79.65 Favored Glycine 0 CA--C 1.536 1.395 0 CA-C-N 115.081 -0.963 . . . . 74.230000000000004 113.795 175.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.37 -51.4 60.69 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.619 0.768 . . . . 73.430000000000007 111.713 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 67.2 mt -61.01 -32.94 72.52 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.984 0.914 . . . . 72.109999999999999 111.216 178.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.453 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -60.29 -40.72 91.47 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.778 0.831 . . . . 52.210000000000001 113.152 177.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.83 -49.85 74.08 Favored Glycine 0 CA--C 1.535 1.334 0 CA-C-N 115.944 -0.571 . . . . 75.450000000000003 114.339 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -68.6 -36.79 79.17 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.153 0.581 . . . . 72.420000000000002 112.11 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.549 HG23 HG22 ' A' ' 30' ' ' ILE . 74.9 mt -64.65 -44.86 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 C-N-CA 123.077 0.551 . . . . 74.530000000000001 111.391 178.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -61.53 -45.91 92.21 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.017 0.527 . . . . 75.400000000000006 111.465 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -65.15 -39.46 93.02 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 123.808 0.843 . . . . 73.329999999999998 110.795 -176.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.33 -33.32 75.69 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.384 0.674 . . . . 73.420000000000002 111.974 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.0 mt -85.67 -15.37 42.56 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.887 0.875 . . . . 74.519999999999996 112.281 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -66.76 119.22 11.45 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 122.738 0.415 . . . . 65.019999999999996 111.554 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.45 12.29 83.94 Favored Glycine 0 CA--C 1.54 1.635 0 CA-C-N 115.827 -0.624 . . . . 70.129999999999995 113.864 -173.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.545 HG23 ' H ' ' A' ' 24' ' ' GLY . 15.1 m -106.33 147.11 29.58 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.583 0.753 . . . . 62.340000000000003 110.459 178.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.24 -33.38 70.95 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 123.6 0.76 . . . . 74.230000000000004 111.997 174.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.545 ' H ' HG23 ' A' ' 22' ' ' THR . . . 140.97 141.98 4.07 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-N 115.276 -0.875 . . . . 63.240000000000002 110.928 -174.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.439 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 95.2 mt -129.04 151.64 49.51 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 117.704 0.752 . . . . 73.120000000000005 110.434 -178.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.0 p -74.2 164.15 26.97 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 110.3 -0.259 . . . . 70.219999999999999 110.3 173.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.478 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 20.3 pt20 -54.07 -33.49 57.66 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.206 0.603 . . . . 73.010000000000005 112.349 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 53.6 mtpt -69.04 -47.23 65.91 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.001 0.921 . . . . 71.25 112.204 174.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.439 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 86.6 mm-40 -65.04 -41.39 95.25 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.662 0.785 . . . . 71.420000000000002 112.83 -176.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.549 HG22 HG23 ' A' ' 15' ' ' ILE . 70.2 mt -60.82 -47.18 94.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.252 0.621 . . . . 64.340000000000003 111.453 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 27' ' ' GLN . 32.5 mtmm -62.35 -26.55 68.51 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 112.998 0.74 . . . . 73.349999999999994 112.998 -176.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -69.79 -50.48 42.62 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-O 120.481 0.181 . . . . 73.150000000000006 110.53 173.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.43 -33.12 75.21 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.47 0.708 . . . . 72.450000000000003 112.708 -177.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.4 p -88.74 -18.71 27.23 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.266 1.026 . . . . 73.010000000000005 112.168 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm 69.16 35.89 2.57 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 125.184 1.394 . . . . 74.310000000000002 111.448 -177.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt -71.95 160.59 32.26 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.387 0.675 . . . . 74.549999999999997 111.687 171.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -89.34 -52.6 4.96 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.418 0.687 . . . . 74.219999999999999 111.972 -176.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.88 163.54 32.37 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.438 0.695 . . . . 72.340000000000003 111.393 -170.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -64.08 -27.31 69.01 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 116.077 -0.51 . . . . 72.150000000000006 111.419 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -53.66 -50.79 65.02 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.428 1.091 . . . . 70.329999999999998 113.138 177.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -74.45 -29.98 61.7 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.778 0.431 . . . . 63.32 111.092 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -59.53 -39.2 83.12 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.895 0.478 . . . . 74.219999999999999 111.956 172.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -63.37 -31.83 73.1 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 123.123 0.569 . . . . 71.329999999999998 112.021 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -74.16 -40.9 62.26 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.248 0.619 . . . . 74.329999999999998 111.339 174.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.425 ' O ' HD12 ' A' ' 49' ' ' LEU . . . -65.36 -58.38 9.6 Favored Glycine 0 C--N 1.352 1.419 0 O-C-N 123.14 0.275 . . . . 64.120000000000005 113.202 176.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.0 tp -57.9 -35.59 71.25 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.121 0.968 . . . . 71.430000000000007 112.155 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.38 -31.73 81.84 Favored Glycine 0 N--CA 1.477 1.407 0 CA-C-O 121.362 0.423 . . . . 73.510000000000005 112.298 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.453 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 39.0 t-105 -71.9 -40.28 68.98 Favored 'General case' 0 CA--C 1.558 1.267 0 CA-C-N 115.204 -0.498 . . . . 73.349999999999994 110.242 171.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.674 HD23 HG12 ' A' ' 55' ' ' VAL . 6.4 mp -58.03 -31.0 66.58 Favored 'General case' 0 N--CA 1.499 1.985 0 C-N-CA 123.33 0.652 . . . . 71.400000000000006 111.978 174.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.0 mt -67.59 -44.95 76.92 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.231 0.612 . . . . 74.329999999999998 111.324 174.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.447 ' HG3' ' HA ' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -73.66 -18.54 61.01 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 111.914 0.338 . . . . 73.230000000000004 111.914 177.144 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -83.71 -17.98 39.48 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.851 0.86 . . . . 72.310000000000002 111.201 174.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 63.72 17.73 10.65 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 125.022 1.329 . . . . 72.200000000000003 112.672 176.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -99.53 9.41 43.26 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.671 0.788 . . . . 71.439999999999998 112.37 -173.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.674 HG12 HD23 ' A' ' 49' ' ' LEU . 29.4 m -134.74 161.7 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 N-CA-C 113.409 0.892 . . . . 74.230000000000004 113.409 174.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.1 p -143.13 132.75 21.34 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 CA-C-N 114.153 -1.385 . . . . 75.299999999999997 109.508 167.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 60.1 p -110.06 131.19 55.28 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 121.06 0.457 . . . . 73.540000000000006 111.251 -169.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.528 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 14.9 m -85.9 143.97 27.92 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.23 1.012 . . . . 72.349999999999994 109.723 173.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -96.55 103.05 14.93 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 109.237 -0.653 . . . . 75.150000000000006 109.237 174.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.6 t -109.64 105.01 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 116.006 -0.543 . . . . 73.420000000000002 109.571 178.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 42.4 45.52 3.79 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 125.41 1.484 . . . . 74.519999999999996 114.51 177.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.3 8.39 83.6 Favored Glycine 0 CA--C 1.542 1.741 0 N-CA-C 115.065 0.786 . . . . 62.450000000000003 115.065 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -113.68 145.22 41.66 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.312 1.045 . . . . 71.150000000000006 111.138 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.3 mt -82.3 124.42 39.22 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 123.54 0.736 . . . . 73.439999999999998 109.986 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.528 ' HB3' ' HB2' ' A' ' 58' ' ' SER . 73.6 t80 -119.22 103.36 9.44 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.031 0.932 . . . . 75.329999999999998 108.953 176.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.1 t -94.33 131.61 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 O-C-N 121.571 -0.706 . . . . 72.129999999999995 111.496 -168.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -123.98 148.51 46.89 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.512 0.725 . . . . 74.310000000000002 109.068 175.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.428 HD22 HG11 ' A' ' 55' ' ' VAL . 38.8 mt -85.0 141.02 30.61 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 118.096 0.407 . . . . 74.019999999999996 111.304 175.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 CA--C 1.551 0.987 0 C-N-CA 123.155 0.582 . . . . 75.209999999999994 109.451 167.305 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' MET . . . . . 0.409 ' HG3' ' H ' ' B' ' 5' ' ' LYS . 11.5 tpt . . . . . 0 CA--C 1.554 1.123 0 CA-C-O 121.249 0.547 . . . . 74.420000000000002 112.069 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 mp -56.89 -43.06 80.94 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.768 0.827 . . . . 74.109999999999999 110.938 172.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.409 ' H ' ' HG3' ' B' ' 3' ' ' MET . 24.5 ttmm -56.47 -44.84 80.98 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.123 0.969 . . . . 74.150000000000006 112.138 171.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -57.86 -55.91 28.81 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.036 0.934 . . . . 73.409999999999997 111.886 -175.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.47 ' HZ2' HD11 ' B' ' 11' ' ' LEU . 0.0 OUTLIER -65.65 -34.19 77.65 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.087 -0.506 . . . . 73.230000000000004 111.828 177.381 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.08 92.41 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 123.908 0.883 . . . . 61.109999999999999 112.472 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.54 -39.58 90.96 Favored Glycine 0 CA--C 1.534 1.268 0 CA-C-N 116.06 -0.518 . . . . 73.5 113.567 177.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.1 75.17 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.341 0.657 . . . . 74.530000000000001 111.769 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.47 HD11 ' HZ2' ' B' ' 7' ' ' LYS . 69.7 mt -74.85 -31.85 61.74 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.786 0.835 . . . . 70.150000000000006 111.753 175.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.44 -53.46 50.96 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.768 0.827 . . . . 64.239999999999995 113.018 -177.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.83 -31.49 76.05 Favored Glycine 0 CA--C 1.54 1.618 0 CA-C-N 115.752 -0.658 . . . . 74.230000000000004 114.309 176.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.439 HE21 ' HA ' ' B' ' 11' ' ' LEU . 42.2 mt-30 -74.14 -49.62 22.95 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.441 0.697 . . . . 75.510000000000005 112.018 -178.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.13 -38.01 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 C-N-CA 123.368 0.667 . . . . 75.129999999999995 110.264 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -58.65 -48.3 81.52 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.91 0.884 . . . . 75.040000000000006 110.653 173.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.77 -39.2 87.91 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.224 1.01 . . . . 75.299999999999997 111.786 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.89 -33.39 75.6 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.302 0.641 . . . . 74.230000000000004 111.809 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 90.6 mt -86.5 -20.16 28.47 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.802 0.841 . . . . 73.519999999999996 112.473 177.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -68.19 119.62 13.05 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.637 0.375 . . . . 75.140000000000001 110.83 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.99 7.37 70.56 Favored Glycine 0 CA--C 1.538 1.494 0 N-CA-C 114.617 0.607 . . . . 73.019999999999996 114.617 -177.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 53.8 p -117.33 165.2 13.76 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.412 0.685 . . . . 72.430000000000007 110.815 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -84.59 -10.28 57.53 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.398 0.679 . . . . 73.540000000000006 110.572 173.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.02 145.6 4.7 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 115.936 -0.575 . . . . 75.340000000000003 112.281 -176.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 90.7 mt -133.34 159.4 40.38 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.456 0.702 . . . . 73.340000000000003 110.735 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 42.5 p -84.83 161.6 19.87 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.253 0.621 . . . . 75.230000000000004 110.809 174.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -54.13 -37.79 64.74 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.556 0.742 . . . . 70.230000000000004 112.789 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -60.32 -52.61 64.54 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.742 0.817 . . . . 74.049999999999997 112.294 174.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -70.73 -31.93 68.94 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 112.854 0.686 . . . . 74.549999999999997 112.854 -172.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.73 -41.84 93.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.137 0.575 . . . . 72.019999999999996 111.286 176.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -59.63 -31.41 69.48 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 112.434 0.531 . . . . 74.219999999999999 112.434 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.55 -52.02 55.53 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 109.434 -0.58 . . . . 75.219999999999999 109.434 176.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.02 -29.34 66.37 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.991 0.737 . . . . 75.120000000000005 112.991 -175.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 69.9 p -83.45 -17.86 40.63 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.637 0.775 . . . . 72.109999999999999 112.795 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? 72.89 39.33 0.66 Allowed 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 124.758 1.223 . . . . 74.219999999999999 109.011 -174.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 93.9 mt -103.44 -177.97 3.53 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.492 1.117 . . . . 71.209999999999994 110.784 167.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -148.92 -28.02 0.29 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.674 0.79 . . . . 73.219999999999999 111.304 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.26 130.87 45.58 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.706 0.802 . . . . 74.140000000000001 111.191 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.18 -22.99 65.25 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.794 0.837 . . . . 64.109999999999999 111.68 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -50.67 -54.52 22.34 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.914 1.285 . . . . 73.25 113.071 174.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.38 -33.06 73.58 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.532 0.733 . . . . 73.430000000000007 110.744 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -62.34 -41.74 98.82 Favored 'General case' 0 CA--C 1.562 1.409 0 CA-C-N 115.431 -0.804 . . . . 73.209999999999994 112.07 175.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -65.31 -40.44 93.77 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 122.722 0.409 . . . . 74.030000000000001 111.814 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -74.09 -28.71 61.5 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 122.97 0.508 . . . . 72.540000000000006 111.697 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . 0.491 ' O ' HD12 ' B' ' 49' ' ' LEU . . . -72.63 -63.43 2.89 Favored Glycine 0 C--N 1.353 1.514 0 N-CA-C 112.771 -0.132 . . . . 70.099999999999994 112.771 173.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 50.2 tp -53.02 -43.6 66.68 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.94 1.296 . . . . 75.439999999999998 113.044 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.99 -30.97 79.43 Favored Glycine 0 N--CA 1.476 1.343 0 CA-C-N 115.87 -0.605 . . . . 70.209999999999994 113.101 -176.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' TRP . . . . . 0.486 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 32.1 t-105 -69.12 -33.66 73.82 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 123.563 0.745 . . . . 74.209999999999994 111.08 175.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.491 HD12 ' O ' ' B' ' 45' ' ' GLY . 3.7 mp -68.25 -29.06 67.78 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.706 0.803 . . . . 73.239999999999995 111.536 177.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.565 HD22 HG21 ' B' ' 57' ' ' THR . 96.6 mt -65.09 -34.95 79.64 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.721 0.809 . . . . 73.140000000000001 111.999 175.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' B' ' 48' ' ' TRP . 7.2 ptt180 -65.85 -34.53 78.36 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.191 0.52 . . . . 74.310000000000002 111.582 179.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -92.87 -8.3 43.81 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.738 0.815 . . . . 75.420000000000002 111.688 178.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 62.23 31.45 17.56 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 124.491 1.117 . . . . 75.530000000000001 112.344 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.407 ' HE3' ' HG ' ' B' ' 49' ' ' LEU . 48.0 mtmt -79.91 -16.89 54.39 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.602 0.761 . . . . 63.130000000000003 111.294 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.511 HG11 HD22 ' B' ' 68' ' ' LEU . 33.7 m -134.74 164.11 34.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 123.761 0.824 . . . . 74.209999999999994 111.298 179.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.2 p -133.32 133.87 57.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-N 115.004 -0.998 . . . . 74.310000000000002 109.549 173.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' THR . . . . . 0.645 ' HA ' HG13 ' B' ' 66' ' ' VAL . 60.9 p -104.4 143.79 32.52 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.94 0.896 . . . . 74.439999999999998 111.474 -169.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 34.3 t -146.35 166.6 25.83 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.523 0.729 . . . . 64.439999999999998 110.693 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -112.99 104.97 12.93 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.912 0.885 . . . . 64.439999999999998 109.887 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 48.5 t -121.54 122.44 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 123.543 0.737 . . . . 75.040000000000006 111.202 -176.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 51.64 37.12 19.1 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.336 1.454 . . . . 72.349999999999994 113.867 172.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.61 -3.88 68.73 Favored Glycine 0 CA--C 1.536 1.392 0 N-CA-C 115.34 0.896 . . . . 63.219999999999999 115.34 174.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -138.68 174.35 10.62 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.38 1.09 . . . . 70.530000000000001 112.38 177.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 55.0 mt -79.56 122.42 34.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 C-N-CA 123.602 0.761 . . . . 74.549999999999997 111.346 -173.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -121.25 118.97 30.93 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.339 1.056 . . . . 75.200000000000003 109.008 177.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.645 HG13 ' HA ' ' B' ' 57' ' ' THR . 32.6 m -130.84 160.93 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.739 0.816 . . . . 75.519999999999996 111.424 -170.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.63 162.93 40.52 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 122.737 0.415 . . . . 73.319999999999993 110.821 177.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.511 HD22 HG11 ' B' ' 55' ' ' VAL . 63.5 mt -69.22 135.73 50.98 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.744 0.418 . . . . 71.109999999999999 111.414 178.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 CA--C 1.548 0.869 0 N-CA-C 109.825 -0.435 . . . . 72.209999999999994 109.825 171.019 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.494 1.766 0 N-CA-C 113.075 0.769 . . . . 73.420000000000002 113.075 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -60.99 -41.33 96.26 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.625 0.77 . . . . 74.030000000000001 111.308 168.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -68.21 -38.38 81.88 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 124.166 0.987 . . . . 73.040000000000006 111.599 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.494 ' HZ1' HD22 ' A' ' 11' ' ' LEU . 10.4 tmtt? -66.3 -50.45 63.61 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.668 0.787 . . . . 70.420000000000002 109.823 178.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.37 -34.03 74.63 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.853 0.861 . . . . 73.129999999999995 111.952 175.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.29 -32.57 76.16 Favored Glycine 0 CA--C 1.543 1.831 0 CA-C-N 116.067 -0.515 . . . . 74.409999999999997 114.36 174.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.37 -38.93 71.53 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.226 0.61 . . . . 71.310000000000002 111.136 174.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.494 HD22 ' HZ1' ' A' ' 7' ' ' LYS . 74.3 mt -64.29 -36.28 83.59 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.235 -0.893 . . . . 75.409999999999997 110.942 172.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -63.57 -46.6 85.16 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.454 0.701 . . . . 73.409999999999997 112.504 177.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.41 -48.22 87.05 Favored Glycine 0 CA--C 1.535 1.31 0 O-C-N 123.91 0.756 . . . . 73.400000000000006 114.102 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -67.16 -35.72 80.3 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 123.325 0.65 . . . . 73.319999999999993 112.438 -179.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.0 mt -72.74 -42.1 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.322 0.649 . . . . 74.120000000000005 111.158 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 71.6 t90 -64.62 -49.34 71.46 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.269 0.628 . . . . 73.010000000000005 110.42 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -68.53 -23.07 64.49 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.522 0.729 . . . . 75.230000000000004 112.577 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.03 -34.89 79.04 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.989 -0.444 . . . . 62.130000000000003 111.534 171.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.609 HD12 HG12 ' A' ' 30' ' ' ILE . 8.4 mp -102.34 -9.65 20.16 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 114.088 1.144 . . . . 74.329999999999998 114.088 -177.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -65.37 127.16 30.65 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 119.745 1.157 . . . . 75.329999999999998 111.599 -176.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.42 20.2 57.17 Favored Glycine 0 CA--C 1.543 1.794 0 CA-C-N 116.094 -0.503 . . . . 72.219999999999999 113.978 -173.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.2 p -131.07 174.61 9.85 Favored 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 123.411 0.684 . . . . 74.540000000000006 110.605 176.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -13.08 50.07 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.756 0.822 . . . . 63.149999999999999 112.606 176.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.61 142.81 5.73 Favored Glycine 0 C--N 1.352 1.449 0 N-CA-C 113.642 0.217 . . . . 73.230000000000004 113.642 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.48 HD22 ' HG ' ' A' ' 19' ' ' LEU . 3.3 mm? -126.66 167.25 15.96 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 124.068 0.947 . . . . 74.099999999999994 111.191 -178.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.6 p -91.93 169.64 10.51 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.033 0.533 . . . . 63.119999999999997 110.84 174.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -55.33 -33.02 62.99 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.367 0.667 . . . . 73.340000000000003 111.972 177.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -56.29 -52.08 65.84 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.61 0.764 . . . . 71.230000000000004 112.422 175.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.459 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 1.8 mp0 -67.74 -39.05 84.25 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.948 0.499 . . . . 73.420000000000002 111.414 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.609 HG12 HD12 ' A' ' 19' ' ' LEU . 64.1 mt -64.77 -44.85 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.011 0.525 . . . . 62.32 110.803 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -66.94 -32.59 73.94 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.024 0.93 . . . . 75.439999999999998 111.624 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -68.85 -46.62 68.02 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.204 0.602 . . . . 75.010000000000005 110.08 176.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.68 -50.1 59.44 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.441 0.696 . . . . 72.140000000000001 111.938 -177.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 79.5 p -73.37 -24.6 60.34 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.217 1.007 . . . . 75.239999999999995 111.891 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt 66.51 29.0 9.28 Favored 'General case' 0 CA--C 1.57 1.733 0 C-N-CA 124.908 1.283 . . . . 71.219999999999999 110.833 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 pp -76.67 162.14 27.96 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.914 -0.491 . . . . 71.010000000000005 111.737 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -103.8 -58.19 1.92 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.1 0.56 . . . . 72.329999999999998 111.621 -175.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.79 147.69 22.8 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 121.221 0.534 . . . . 70.040000000000006 112.263 -171.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -59.83 -33.06 71.27 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.643 -0.708 . . . . 64.430000000000007 110.489 168.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -55.88 -53.16 60.21 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.231 1.412 . . . . 74.519999999999996 113.831 -175.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -73.3 -27.52 61.59 Favored 'General case' 0 N--CA 1.483 1.225 0 CA-C-O 120.713 0.292 . . . . 73.510000000000005 110.718 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -59.02 -41.25 87.33 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 123.013 0.525 . . . . 75.239999999999995 111.241 170.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.62 -32.52 73.28 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 112.549 0.574 . . . . 74.420000000000002 112.549 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -71.77 -31.49 66.69 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 122.503 0.321 . . . . 75.340000000000003 111.29 174.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.435 ' O ' HD12 ' A' ' 49' ' ' LEU . . . -75.06 -62.3 2.81 Favored Glycine 0 C--N 1.353 1.483 0 CA-C-N 116.619 -0.264 . . . . 44.329999999999998 113.246 175.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.565 HD11 HG22 ' A' ' 66' ' ' VAL . 58.5 tp -59.6 -33.55 71.61 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.271 1.029 . . . . 72.510000000000005 112.168 177.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.21 -31.23 74.3 Favored Glycine 0 N--CA 1.472 1.079 0 CA-C-N 115.821 -0.627 . . . . 62.32 112.322 176.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.576 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 29.1 t-105 -70.34 -33.61 71.68 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 122.613 0.365 . . . . 63.210000000000001 110.318 172.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 45' ' ' GLY . 6.8 mp -65.51 -33.02 74.96 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.088 0.555 . . . . 74.329999999999998 111.528 173.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.3 mt -68.49 -43.21 77.36 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.534 0.733 . . . . 73.209999999999994 111.372 173.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.906 ' HB2' ' HB3' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -73.52 -18.43 61.09 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 120.857 0.36 . . . . 71.430000000000007 111.886 179.033 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.504 ' HB3' ' NZ ' ' A' ' 54' ' ' LYS . 45.2 mm-40 -93.0 -6.31 48.66 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.987 0.915 . . . . 61.299999999999997 112.144 173.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 63.35 13.44 7.05 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 125.001 1.32 . . . . 65.099999999999994 112.923 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.504 ' NZ ' ' HB3' ' A' ' 52' ' ' GLU . 28.1 mtmm -95.16 16.68 15.87 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.585 0.754 . . . . 75.530000000000001 112.855 -174.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.403 HG11 HD21 ' A' ' 68' ' ' LEU . 17.4 m -138.13 153.84 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 113.786 1.032 . . . . 74.219999999999999 113.786 170.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.7 t -113.17 124.67 70.04 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-N 114.11 -1.405 . . . . 72.329999999999998 108.638 163.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.5 p -103.2 150.62 23.52 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.19 0.596 . . . . 73.109999999999999 111.774 -175.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.8 t -158.29 172.78 17.75 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.573 1.149 . . . . 74.230000000000004 110.325 -175.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -121.97 123.31 41.37 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.979 0.512 . . . . 72.0 110.995 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.3 t -114.92 114.11 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 123.907 0.883 . . . . 74.239999999999995 110.174 171.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 58.45 35.69 24.88 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 124.484 1.114 . . . . 73.030000000000001 112.934 173.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.91 9.9 86.22 Favored Glycine 0 N--CA 1.481 1.648 0 N-CA-C 114.152 0.421 . . . . 72.530000000000001 114.152 -177.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -114.02 144.78 42.55 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.963 0.905 . . . . 72.129999999999995 110.373 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.7 mt -70.93 106.24 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 122.883 0.473 . . . . 72.530000000000001 110.763 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -100.88 137.68 38.94 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.083 0.953 . . . . 73.209999999999994 109.49 174.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.565 HG22 HD11 ' A' ' 46' ' ' LEU . 9.5 p -140.81 152.3 20.58 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 O-C-N 122.081 -0.387 . . . . 75.129999999999995 111.459 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.544 ' HZ1' ' HB2' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -135.44 146.9 48.69 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.403 0.681 . . . . 73.519999999999996 109.894 176.091 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.403 HD21 HG11 ' A' ' 55' ' ' VAL . 45.0 mt -82.82 136.48 34.63 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 112.446 0.535 . . . . 74.219999999999999 112.446 -177.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.9 t . . . . . 0 CA--C 1.552 1.028 0 N-CA-C 107.645 -1.243 . . . . 74.230000000000004 107.645 157.447 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 95.7 mmm . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 113.547 0.944 . . . . 71.329999999999998 113.547 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.26 -17.11 64.23 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.717 0.807 . . . . 74.120000000000005 111.868 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -68.59 -43.54 76.27 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.833 0.853 . . . . 74.109999999999999 111.181 171.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -69.27 -33.32 73.04 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 115.838 -0.619 . . . . 75.299999999999997 110.876 177.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -63.61 -44.19 94.69 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 124.364 1.066 . . . . 71.549999999999997 110.303 172.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.07 -36.09 78.68 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 123.61 0.764 . . . . 64.25 111.846 173.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.71 -34.59 78.44 Favored Glycine 0 C--N 1.352 1.44 0 CA-C-N 115.883 -0.599 . . . . 74.319999999999993 113.41 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.91 -38.56 91.38 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.293 0.637 . . . . 73.010000000000005 111.007 175.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 69.4 mt -66.86 -41.26 87.62 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.253 -0.885 . . . . 73.510000000000005 111.018 174.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.06 -46.06 82.75 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.584 0.753 . . . . 72.239999999999995 112.793 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.89 -52.71 50.65 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-N 115.826 -0.624 . . . . 74.430000000000007 114.358 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -66.33 -40.54 89.95 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.178 0.591 . . . . 75.140000000000001 112.26 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.463 HD12 ' HA3' ' B' ' 45' ' ' GLY . 97.1 mt -65.17 -42.73 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 123.39 0.676 . . . . 73.200000000000003 111.081 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -61.07 -39.66 90.74 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 116.554 -0.294 . . . . 74.340000000000003 111.244 175.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.44 -25.55 66.79 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 112.854 0.687 . . . . 75.239999999999995 112.854 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.33 -36.37 83.85 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 121.021 0.438 . . . . 72.319999999999993 110.66 169.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.529 HD21 HG22 ' B' ' 66' ' ' VAL . 9.2 mp -85.61 -18.52 33.06 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.952 0.901 . . . . 75.510000000000005 112.564 177.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -64.33 122.03 15.72 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.665 0.786 . . . . 75.5 111.701 -174.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.87 -28.19 17.14 Favored Glycine 0 CA--C 1.536 1.373 0 CA-C-N 116.033 -0.53 . . . . 75.150000000000006 112.886 -174.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.2 m -101.26 172.45 6.99 Favored 'General case' 0 CA--C 1.564 1.493 0 C-N-CA 124.174 0.99 . . . . 71.310000000000002 109.767 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -106.17 -1.08 24.07 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.158 0.583 . . . . 63.409999999999997 112.105 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.89 132.36 1.33 Allowed Glycine 0 C--N 1.36 1.896 0 N-CA-C 114.298 0.479 . . . . 65.030000000000001 114.298 -173.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.469 HD11 ' HA ' ' B' ' 19' ' ' LEU . 7.4 mp -128.17 161.1 30.07 Favored 'General case' 0 N--CA 1.5 2.029 0 C-N-CA 124.055 0.942 . . . . 73.420000000000002 110.844 176.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 27.7 p -86.12 158.93 19.67 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 116.243 -0.435 . . . . 74.340000000000003 109.884 170.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -55.8 -42.84 76.21 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.257 0.623 . . . . 72.439999999999998 111.503 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -59.2 -41.36 88.35 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.664 0.786 . . . . 73.540000000000006 112.141 177.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -65.48 -41.8 92.92 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.453 0.701 . . . . 72.310000000000002 111.517 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.6 mt -67.02 -45.9 85.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 115.41 -0.813 . . . . 74.510000000000005 110.72 -178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.474 ' HZ1' ' HB3' ' B' ' 31' ' ' LYS . 9.3 mtpm? -61.22 -28.22 69.0 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.89 0.876 . . . . 74.209999999999994 111.964 177.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -70.27 -47.29 61.9 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 123.078 0.551 . . . . 71.329999999999998 111.469 171.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.64 -45.9 67.41 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.416 0.686 . . . . 61.0 112.784 -175.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 10.9 p -82.37 -19.05 39.96 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.401 1.08 . . . . 75.109999999999999 112.308 178.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt 60.46 56.66 3.06 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.006 0.923 . . . . 73.519999999999996 112.06 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' B' ' 41' ' ' ASP . 2.4 pt? -121.74 140.67 52.03 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 115.946 -0.57 . . . . 73.200000000000003 110.685 175.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.51 ' HZ1' ' HB2' ' B' ' 37' ' ' LYS . 4.8 ttmp? -84.98 -48.78 8.91 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.477 0.711 . . . . 73.530000000000001 110.783 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.73 118.89 13.16 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-O 121.324 0.583 . . . . 63.020000000000003 112.404 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.66 -27.05 68.4 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.025 0.93 . . . . 74.329999999999998 110.988 171.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -54.8 -50.71 67.86 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.904 1.281 . . . . 73.450000000000003 111.901 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . 0.52 ' HB2' HD13 ' B' ' 36' ' ' LEU . 5.8 m-20 -63.27 -30.68 71.78 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.664 0.786 . . . . 62.119999999999997 112.003 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -61.47 -45.52 93.9 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.61 0.364 . . . . 74.409999999999997 110.889 172.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -67.51 -38.35 84.16 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.056 0.542 . . . . 73.329999999999998 111.932 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.82 -47.34 81.2 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.704 0.802 . . . . 71.219999999999999 111.362 177.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . 0.474 ' O ' HD12 ' B' ' 49' ' ' LEU . . . -66.39 -43.65 92.16 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-N 116.173 -0.467 . . . . 55.240000000000002 113.143 176.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.16 -31.95 73.23 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.068 0.947 . . . . 74.129999999999995 111.62 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.0 -31.38 72.39 Favored Glycine 0 N--CA 1.472 1.052 0 CA-C-N 115.721 -0.672 . . . . 73.010000000000005 112.223 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' TRP . . . . . 0.487 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 26.5 t-105 -72.03 -36.53 69.7 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.209 0.604 . . . . 64.540000000000006 110.499 173.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.529 HD21 HG13 ' B' ' 55' ' ' VAL . 5.5 mp -63.07 -30.4 71.57 Favored 'General case' 0 CA--C 1.57 1.717 0 C-N-CA 123.155 0.582 . . . . 75.219999999999999 111.452 173.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.0 mt -69.89 -36.69 75.65 Favored 'General case' 0 CA--C 1.566 1.566 0 N-CA-C 113.548 0.944 . . . . 74.219999999999999 113.548 175.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.906 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 14.4 ptm180 -70.97 -33.25 70.26 Favored 'General case' 0 N--CA 1.504 2.23 0 CA-C-N 119.09 0.859 . . . . 75.019999999999996 111.803 177.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -79.99 -18.94 48.98 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 115.612 -0.722 . . . . 75.019999999999996 110.665 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 34.6 t70 69.82 18.53 7.36 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.214 1.406 . . . . 71.420000000000002 111.122 175.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -79.93 -8.73 59.49 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 115.632 -0.713 . . . . 73.349999999999994 112.125 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.529 HG13 HD21 ' B' ' 49' ' ' LEU . 22.3 m -132.46 163.65 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-O 121.934 0.873 . . . . 73.049999999999997 112.303 177.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.54 HG11 HG22 ' B' ' 69' ' ' VAL . 19.9 m -129.92 142.05 44.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 114.116 -1.402 . . . . 74.040000000000006 108.995 168.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 47.1 p -101.4 139.62 36.81 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.14 0.576 . . . . 74.319999999999993 110.777 -177.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 68.8 m -147.83 171.41 15.76 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.172 0.989 . . . . 75.549999999999997 110.656 -176.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -123.13 121.7 36.64 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.742 0.817 . . . . 65.230000000000004 109.565 176.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 35.5 t -119.96 113.35 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.894 0.878 . . . . 74.530000000000001 110.04 174.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 51.3 44.98 28.57 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 125.421 1.488 . . . . 72.439999999999998 113.837 172.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.35 3.5 88.61 Favored Glycine 0 CA--C 1.539 1.561 0 CA-C-N 115.701 -0.681 . . . . 70.230000000000004 114.519 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -119.18 147.8 43.81 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.115 0.966 . . . . 75.219999999999999 110.887 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 57.8 mt -68.04 124.35 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 123.096 0.558 . . . . 74.439999999999998 109.951 174.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -128.46 114.39 16.74 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.458 0.703 . . . . 73.030000000000001 109.832 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.529 HG22 HD21 ' B' ' 19' ' ' LEU . 32.6 m -115.24 138.68 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 122.992 0.517 . . . . 64.200000000000003 111.096 -177.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -120.9 160.69 22.94 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.372 0.669 . . . . 73.209999999999994 110.967 -174.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.462 HD22 HG12 ' B' ' 55' ' ' VAL . 89.1 mt -86.24 44.47 1.14 Allowed 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 122.878 0.471 . . . . 73.540000000000006 111.754 176.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.54 HG22 HG11 ' B' ' 56' ' ' VAL . 11.5 t . . . . . 0 N--CA 1.497 1.882 0 C-N-CA 124.805 1.242 . . . . 75.519999999999996 110.375 -173.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 N--CA 1.505 2.322 0 N-CA-C 112.209 0.448 . . . . 75.530000000000001 112.209 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -66.42 -38.04 86.55 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.914 1.286 . . . . 74.109999999999999 110.774 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -70.07 -39.38 75.68 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.426 -0.806 . . . . 74.510000000000005 110.088 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.632 ' HE2' HD11 ' A' ' 11' ' ' LEU . 58.7 tttt -59.91 -42.29 93.55 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 115.008 -0.996 . . . . 75.329999999999998 111.408 172.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.87 -34.81 76.68 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.704 0.802 . . . . 75.420000000000002 111.334 178.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.38 -36.81 69.96 Favored Glycine 0 CA--C 1.54 1.637 0 CA-C-N 115.495 -0.775 . . . . 52.130000000000003 113.005 173.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.99 -43.85 86.57 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.566 0.746 . . . . 50.450000000000003 111.372 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.632 HD11 ' HE2' ' A' ' 7' ' ' LYS . 87.8 mt -68.9 -33.5 73.86 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.952 0.901 . . . . 75.219999999999999 110.714 176.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.432 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -59.25 -43.28 92.43 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.384 0.674 . . . . 64.549999999999997 112.244 175.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' ' 17' ' ' GLU . . . -58.67 -52.5 52.68 Favored Glycine 0 CA--C 1.536 1.395 0 CA-C-N 115.554 -0.748 . . . . 74.430000000000007 113.926 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -69.95 -34.91 74.03 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.291 0.636 . . . . 65.099999999999994 112.306 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.63 HG23 HG22 ' A' ' 30' ' ' ILE . 63.2 mt -67.14 -39.17 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 C-N-CA 123.112 0.565 . . . . 73.519999999999996 110.908 174.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -60.26 -44.3 95.42 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 123.454 0.701 . . . . 73.140000000000001 111.011 172.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 13' ' ' GLY . 37.0 mt-10 -66.41 -29.44 69.59 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.36 0.664 . . . . 71.409999999999997 112.613 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.34 -36.42 82.86 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.868 0.467 . . . . 71.329999999999998 110.937 173.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -87.27 -18.29 30.55 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 123.909 0.884 . . . . 72.310000000000002 112.472 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -64.75 123.42 19.31 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.251 0.621 . . . . 74.040000000000006 111.649 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.3 12.31 69.03 Favored Glycine 0 CA--C 1.541 1.672 0 CA-C-N 116.063 -0.517 . . . . 73.530000000000001 114.023 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.472 HG21 ' H ' ' A' ' 24' ' ' GLY . 10.1 m -118.87 149.22 41.91 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.901 0.88 . . . . 71.329999999999998 110.754 -176.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.38 -23.22 66.29 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.906 0.883 . . . . 75.340000000000003 112.836 176.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.472 ' H ' HG21 ' A' ' 22' ' ' THR . . . 123.71 147.82 7.36 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 113.952 0.341 . . . . 74.25 113.952 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.584 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 2.4 mm? -127.21 164.3 21.99 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.626 0.771 . . . . 64.310000000000002 110.178 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 78.2 p -77.54 168.62 19.69 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 116.22 -0.445 . . . . 73.510000000000005 110.886 171.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -38.91 75.95 Favored 'General case' 0 CA--C 1.564 1.494 0 N-CA-C 113.402 0.89 . . . . 74.540000000000006 113.402 -174.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -65.45 -48.35 72.98 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.586 0.754 . . . . 71.420000000000002 110.986 174.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.584 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 13.2 mm-40 -63.44 -39.3 94.09 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 112.45 0.537 . . . . 73.530000000000001 112.45 -172.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.63 HG22 HG23 ' A' ' 15' ' ' ILE . 56.5 mt -68.38 -46.14 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-O 120.712 0.291 . . . . 73.319999999999993 110.338 175.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -57.39 -35.5 70.08 Favored 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 123.939 0.895 . . . . 73.299999999999997 110.918 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -69.48 -47.3 64.34 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.65 1.18 . . . . 74.25 111.06 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.72 74.48 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.903 0.881 . . . . 75.329999999999998 112.176 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.6 p -89.59 -2.55 58.36 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.771 0.829 . . . . 73.239999999999995 112.338 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt 70.2 23.7 5.09 Favored 'General case' 0 N--CA 1.501 2.099 0 C-N-CA 124.525 1.13 . . . . 62.530000000000001 112.125 175.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.9 mt -85.72 132.11 34.2 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.692 0.797 . . . . 75.530000000000001 109.924 175.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -89.73 -42.31 11.39 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.422 0.689 . . . . 74.340000000000003 111.161 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.05 141.62 28.32 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.82 0.848 . . . . 70.239999999999995 111.408 -176.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -61.13 -31.74 71.45 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.246 1.418 . . . . 64.439999999999998 111.998 176.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -57.09 -42.57 80.99 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.792 1.237 . . . . 75.120000000000005 112.785 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.97 -34.08 76.97 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.395 0.678 . . . . 72.319999999999993 111.388 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -64.9 -40.77 95.6 Favored 'General case' 0 CA--C 1.556 1.204 0 CA-C-N 116.027 -0.533 . . . . 73.430000000000007 111.046 174.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -64.03 -40.92 97.39 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 122.994 0.518 . . . . 74.519999999999996 112.333 178.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.25 -47.44 86.05 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.378 0.671 . . . . 73.430000000000007 111.644 176.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.595 ' HA3' HD13 ' A' ' 15' ' ' ILE . . . -66.4 -51.82 40.11 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 116.131 -0.486 . . . . 72.239999999999995 113.554 178.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.91 -36.76 82.28 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.781 0.833 . . . . 70.409999999999997 111.995 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.99 -31.29 78.07 Favored Glycine 0 N--CA 1.475 1.273 0 CA-C-N 116.015 -0.539 . . . . 71.510000000000005 112.818 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.477 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 11.2 t-105 -77.45 -29.65 52.92 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 123.222 0.609 . . . . 73.510000000000005 111.133 176.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.613 HD23 HG12 ' A' ' 55' ' ' VAL . 5.8 mp -64.95 -31.56 72.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.776 -0.577 . . . . 65.439999999999998 111.001 172.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.8 mt -72.14 -35.46 69.08 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.973 0.909 . . . . 75.439999999999998 112.874 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.567 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 12.2 ptm180 -61.02 -27.07 68.06 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 113.713 1.005 . . . . 62.109999999999999 113.713 -178.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.567 ' HG3' ' HG3' ' A' ' 51' ' ' ARG . 42.8 mt-10 -109.47 -9.27 14.93 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.266 0.626 . . . . 74.439999999999998 111.806 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 61.77 35.44 16.73 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.922 0.889 . . . . 72.540000000000006 111.544 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -77.84 -6.62 54.8 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 115.23 -0.895 . . . . 75.430000000000007 111.259 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.613 HG12 HD23 ' A' ' 49' ' ' LEU . 31.0 m -132.66 161.9 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.092 0.957 . . . . 72.400000000000006 111.093 177.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.666 HG11 HG23 ' A' ' 69' ' ' VAL . 15.8 m -116.93 127.9 74.45 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.033 0 C-N-CA 124.071 0.948 . . . . 75.349999999999994 110.654 170.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.0 p -106.05 133.88 50.06 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.53 1.132 . . . . 64.349999999999994 110.106 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.6 t -123.56 148.44 46.34 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.462 1.105 . . . . 75.219999999999999 110.075 -178.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -97.23 101.29 12.82 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.595 -0.891 . . . . 73.129999999999995 108.595 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.3 t -122.13 111.18 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.51 0.724 . . . . 63.229999999999997 110.209 -174.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 58.16 35.44 25.06 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 124.897 1.279 . . . . 75.439999999999998 112.116 176.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.52 -13.57 57.8 Favored Glycine 0 CA--C 1.543 1.814 0 CA-C-N 115.885 -0.598 . . . . 73.0 114.193 -177.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -98.67 155.35 17.37 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.768 0.827 . . . . 63.520000000000003 111.921 -171.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.1 mt -85.24 111.1 20.24 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.178 0 C-N-CA 123.435 0.694 . . . . 74.349999999999994 110.41 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -106.35 133.51 50.93 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.091 0.956 . . . . 71.439999999999998 108.623 171.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.1 p -139.51 149.42 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 CA-C-O 121.26 0.552 . . . . 74.349999999999994 112.476 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.454 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 20.7 pttp -154.73 169.82 23.04 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.182 0.993 . . . . 75.219999999999999 109.707 177.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.525 HD22 HG11 ' A' ' 55' ' ' VAL . 48.4 mt -68.05 160.46 28.79 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 118.504 0.593 . . . . 75.439999999999998 111.51 173.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.666 HG23 HG11 ' A' ' 56' ' ' VAL . 15.8 t . . . . . 0 CA--C 1.556 1.177 0 CA-C-O 121.582 0.706 . . . . 75.310000000000002 109.188 175.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' MET . . . . . 0.628 ' HB3' ' HB2' ' B' ' 6' ' ' GLU . 12.0 tpt . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.297 0.094 . . . . 75.230000000000004 110.781 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.39 -28.74 67.37 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.234 0.614 . . . . 61.310000000000002 111.076 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.67 -45.11 76.16 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.532 0.733 . . . . 63.439999999999998 110.212 169.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.628 ' HB2' ' HB3' ' B' ' 3' ' ' MET . 2.9 tp10 -70.27 -39.08 75.15 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.434 0.694 . . . . 73.129999999999995 112.388 -169.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -32.59 73.74 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.844 0.457 . . . . 73.040000000000006 111.616 178.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.24 -36.8 85.28 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.537 0.735 . . . . 74.299999999999997 111.154 175.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.63 -38.53 57.23 Favored Glycine 0 C--N 1.35 1.339 0 CA-C-N 115.967 -0.56 . . . . 54.43 113.717 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.9 97.52 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.624 0.77 . . . . 74.409999999999997 111.274 176.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.52 HD21 HD21 ' B' ' 36' ' ' LEU . 81.2 mt -71.75 -37.92 70.48 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.396 -0.82 . . . . 73.25 111.473 175.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.52 -40.28 86.61 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.335 0.654 . . . . 73.510000000000005 112.656 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.47 -53.57 44.89 Favored Glycine 0 CA--C 1.534 1.281 0 O-C-N 123.779 0.675 . . . . 53.020000000000003 113.305 177.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -70.14 -33.94 72.43 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.076 0.55 . . . . 71.230000000000004 112.404 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.482 HG21 HG22 ' B' ' 30' ' ' ILE . 79.4 mt -64.56 -44.33 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 122.982 0.513 . . . . 75.519999999999996 110.512 175.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -63.73 -41.96 97.98 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.233 0.613 . . . . 72.530000000000001 111.451 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.03 -34.93 78.62 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 123.372 0.669 . . . . 70.030000000000001 111.782 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.65 81.62 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.304 0.642 . . . . 70.430000000000007 111.26 173.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.414 HD22 HD11 ' B' ' 25' ' ' LEU . 75.8 mt -78.35 -29.59 47.61 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.082 0.953 . . . . 74.340000000000003 112.003 177.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -67.89 124.39 23.22 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.681 0.792 . . . . 64.340000000000003 111.359 -173.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.24 -37.4 3.4 Favored Glycine 0 CA--C 1.538 1.505 0 CA-C-N 116.013 -0.539 . . . . 61.240000000000002 112.668 -172.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.9 m -78.97 158.69 27.93 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.098 0.959 . . . . 73.040000000000006 110.848 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.27 10.13 9.21 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.452 0.701 . . . . 74.25 112.267 176.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.65 146.49 10.86 Favored Glycine 0 C--N 1.346 1.109 0 C-N-CA 123.048 0.356 . . . . 63.299999999999997 112.32 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.621 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 5.2 mp -124.95 159.78 30.43 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.191 0.596 . . . . 74.400000000000006 110.385 -177.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 69.3 p -82.55 170.73 14.87 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 116.358 -0.383 . . . . 74.329999999999998 110.448 171.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -55.08 -34.04 63.28 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 123.809 0.843 . . . . 74.420000000000002 112.123 174.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -63.65 -53.49 50.6 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 124.509 1.123 . . . . 74.420000000000002 112.051 174.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . 0.621 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 69.7 mt-30 -69.29 -40.4 77.75 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.966 0.906 . . . . 75.340000000000003 112.891 -170.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.482 HG22 HG21 ' B' ' 15' ' ' ILE . 71.3 mt -60.91 -39.05 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 122.817 0.447 . . . . 74.439999999999998 111.278 178.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -64.05 -25.42 68.1 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 113.216 0.821 . . . . 72.439999999999998 113.216 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -66.95 -55.93 12.43 Favored 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 109.173 -0.677 . . . . 75.340000000000003 109.173 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.51 86.41 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.529 0.732 . . . . 73.420000000000002 112.304 -173.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 80.5 p -81.64 -21.93 37.91 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.868 0.867 . . . . 75.030000000000001 112.021 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 68.56 35.59 3.16 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 124.735 1.214 . . . . 74.200000000000003 111.404 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.52 HD21 HD21 ' B' ' 11' ' ' LEU . 68.8 mt -81.59 124.72 29.77 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.25 0.62 . . . . 73.219999999999999 110.93 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -82.76 -49.94 9.21 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.944 0.897 . . . . 74.340000000000003 110.859 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.58 131.37 37.75 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.404 0.681 . . . . 74.540000000000006 111.528 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -64.83 -26.44 68.34 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.679 0.791 . . . . 75.120000000000005 111.402 169.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -59.29 -34.97 72.93 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.393 1.077 . . . . 74.329999999999998 112.784 177.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -71.91 -45.81 59.91 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.224 0.61 . . . . 70.140000000000001 110.532 171.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -57.6 -39.04 75.95 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 114.86 -1.064 . . . . 72.409999999999997 112.964 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -64.45 -37.63 88.2 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 123.089 0.556 . . . . 74.010000000000005 112.256 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.37 -40.12 67.52 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.42 0.688 . . . . 62.530000000000001 111.337 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . 0.428 ' O ' HD11 ' B' ' 49' ' ' LEU . . . -66.56 -46.29 77.92 Favored Glycine 0 N--CA 1.478 1.45 0 CA-C-N 116.455 -0.339 . . . . 64.409999999999997 113.004 176.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.641 HD12 HG11 ' B' ' 66' ' ' VAL . 36.3 tp -70.53 -30.71 67.53 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 124.004 0.922 . . . . 75.030000000000001 111.315 178.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.72 -30.59 70.55 Favored Glycine 0 N--CA 1.476 1.311 0 CA-C-N 115.319 -0.855 . . . . 73.530000000000001 112.31 176.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' TRP . . . . . 0.544 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 8.7 t-105 -64.7 -40.9 96.16 Favored 'General case' 0 CA--C 1.562 1.421 0 C-N-CA 123.137 0.575 . . . . 73.549999999999997 110.089 171.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.456 HD23 HG12 ' B' ' 55' ' ' VAL . 6.5 mp -56.98 -28.88 62.75 Favored 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 123.35 0.66 . . . . 60.329999999999998 112.66 177.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.07 -42.32 84.9 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.192 0.597 . . . . 73.209999999999994 111.993 172.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' B' ' 48' ' ' TRP . 12.5 ptp180 -66.23 -28.3 68.62 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 121.302 0.572 . . . . 74.329999999999998 110.275 176.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -78.85 -20.22 50.1 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.433 -0.803 . . . . 75.310000000000002 111.579 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 p30 51.75 25.32 2.85 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 126.043 1.737 . . . . 73.349999999999994 112.917 -172.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -87.47 -0.36 56.7 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.645 0.778 . . . . 73.150000000000006 111.915 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.456 HG12 HD23 ' B' ' 49' ' ' LEU . 35.3 m -132.63 163.17 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-O 121.651 0.738 . . . . 72.409999999999997 112.805 176.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 6.7 p -129.72 133.09 65.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 C-N-CA 125.143 1.377 . . . . 74.109999999999999 108.328 167.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' THR . . . . . 0.445 HG23 HG13 ' B' ' 66' ' ' VAL . 34.1 p -102.48 154.93 18.62 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 121.238 0.542 . . . . 75.219999999999999 111.09 -172.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 79.9 p -163.46 171.96 15.18 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.633 1.173 . . . . 72.209999999999994 109.47 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -113.17 108.64 17.57 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.97 -0.752 . . . . 74.430000000000007 108.97 172.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 41.1 t -108.66 120.53 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.832 0.853 . . . . 64.409999999999997 109.936 175.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 58.07 29.67 18.14 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.838 1.655 . . . . 73.219999999999999 112.982 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.77 -3.24 65.06 Favored Glycine 0 CA--C 1.541 1.692 0 N-CA-C 114.982 0.753 . . . . 70.530000000000001 114.982 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -117.45 163.27 16.64 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 118.108 0.954 . . . . 74.409999999999997 112.02 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 70.7 mt -72.81 122.05 24.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 CA-C-N 115.278 -0.874 . . . . 73.049999999999997 109.529 174.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -128.26 128.04 43.93 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.267 1.027 . . . . 64.019999999999996 109.47 -176.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.641 HG11 HD12 ' B' ' 46' ' ' LEU . 29.2 m -123.44 147.51 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.33 0.652 . . . . 72.319999999999993 111.314 -176.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -129.15 151.11 50.18 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.524 1.13 . . . . 73.099999999999994 108.756 -177.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 58.2 mt -76.92 73.53 3.53 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-N 119.462 1.028 . . . . 74.120000000000005 111.638 175.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 15.7 t . . . . . 0 N--CA 1.5 2.044 0 C-N-CA 124.889 1.276 . . . . 61.200000000000003 111.661 -178.598 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 CA--C 1.562 1.416 0 N-CA-C 111.837 0.31 . . . . 74.540000000000006 111.837 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -59.27 -48.63 80.89 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.309 1.044 . . . . 72.340000000000003 111.373 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -65.99 -33.04 74.89 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 115.017 -0.992 . . . . 73.0 110.454 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.635 ' HZ2' HD13 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -68.92 -44.73 72.5 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.664 0.786 . . . . 75.209999999999994 111.358 -179.755 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.89 -34.72 71.98 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.729 0.812 . . . . 74.530000000000001 112.353 177.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.92 -39.73 96.72 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-N 115.951 -0.568 . . . . 64.540000000000006 113.766 174.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.08 -33.41 75.97 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.375 0.67 . . . . 65.439999999999998 111.768 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.635 HD13 ' HZ2' ' A' ' 7' ' ' LYS . 86.6 mt -67.44 -42.02 83.81 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.763 0.825 . . . . 61.049999999999997 111.315 176.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.73 -41.98 82.95 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.939 0.896 . . . . 74.040000000000006 112.811 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.52 -37.89 84.63 Favored Glycine 0 CA--C 1.536 1.397 0 CA-C-N 115.753 -0.658 . . . . 64.129999999999995 113.648 177.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -73.1 -46.26 52.36 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.319 0.648 . . . . 65.400000000000006 111.502 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.597 HG22 HG22 ' A' ' 30' ' ' ILE . 68.2 mt -66.68 -41.87 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 123.689 0.796 . . . . 75.329999999999998 111.91 -176.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -60.99 -43.36 98.95 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.069 0.548 . . . . 74.310000000000002 110.777 173.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.07 -30.97 69.41 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.56 0.744 . . . . 75.519999999999996 111.47 -177.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.0 -30.97 68.42 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.505 0.722 . . . . 73.230000000000004 111.271 173.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.5 mt -81.31 -20.15 41.38 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.759 0.824 . . . . 74.129999999999995 111.844 172.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -79.56 120.24 23.64 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.425 0.69 . . . . 72.010000000000005 109.24 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.68 -8.76 37.34 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 122.874 0.273 . . . . 74.420000000000002 112.777 -169.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.7 p -129.18 168.72 15.74 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.496 1.118 . . . . 75.340000000000003 109.789 175.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -91.07 -4.05 56.64 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 111.876 0.324 . . . . 71.510000000000005 111.876 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.35 131.63 2.54 Favored Glycine 0 C--N 1.35 1.344 0 CA-C-N 116.637 -0.256 . . . . 71.120000000000005 113.067 -175.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.418 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 98.1 mt -125.4 159.32 32.14 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.894 0.877 . . . . 72.140000000000001 110.941 -178.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.2 p -82.82 167.13 18.39 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 109.475 -0.565 . . . . 73.150000000000006 109.475 173.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 20.3 pt20 -51.34 -42.74 61.48 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 123.393 0.677 . . . . 71.040000000000006 112.435 -177.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -57.68 -49.62 75.91 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.465 1.106 . . . . 72.25 113.058 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 47.8 mt-30 -67.19 -33.0 74.45 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.689 0.795 . . . . 74.439999999999998 111.864 -174.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.597 HG22 HG22 ' A' ' 15' ' ' ILE . 57.3 mt -73.31 -45.43 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.41 0.684 . . . . 61.530000000000001 111.132 177.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 27' ' ' GLN . 51.5 mtpt -59.55 -34.03 72.15 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.416 0.687 . . . . 65.239999999999995 111.781 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -69.91 -48.11 59.85 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 123.45 0.7 . . . . 74.319999999999993 110.342 175.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.0 -34.18 77.83 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.533 0.733 . . . . 70.230000000000004 112.621 -177.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.8 p -87.95 -17.2 31.83 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.876 0.871 . . . . 73.25 111.467 176.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm 65.94 31.38 9.26 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 125.369 1.468 . . . . 73.409999999999997 112.575 -178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 pp -101.93 137.29 40.41 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-O 121.196 0.522 . . . . 75.420000000000002 110.389 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.65 -12.81 30.62 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.568 0.747 . . . . 75.230000000000004 112.315 -179.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -98.23 114.08 26.22 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.437 0.695 . . . . 75.340000000000003 112.4 -170.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -59.58 -27.41 66.24 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.116 0.566 . . . . 70.299999999999997 110.555 168.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HZ2' ' HB3' ' A' ' 40' ' ' LYS . 2.0 mmmp? -50.49 -57.9 7.0 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.46 1.504 . . . . 72.409999999999997 112.662 175.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -76.94 -21.53 54.67 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.972 0.509 . . . . 63.009999999999998 111.48 -177.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -63.11 -40.45 97.66 Favored 'General case' 0 CA--C 1.557 1.221 0 CA-C-N 115.768 -0.651 . . . . 74.109999999999999 110.9 170.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -65.34 -39.78 92.82 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 123.064 0.546 . . . . 74.099999999999994 112.201 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.78 -46.15 89.35 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.414 0.686 . . . . 65.219999999999999 111.303 178.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.592 ' HA3' HD13 ' A' ' 15' ' ' ILE . . . -68.97 -50.72 32.91 Favored Glycine 0 CA--C 1.537 1.421 0 CA-C-N 116.062 -0.517 . . . . 62.420000000000002 113.311 177.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.4 tp -56.7 -38.16 71.9 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.304 1.042 . . . . 74.329999999999998 112.141 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.9 -31.61 72.87 Favored Glycine 0 N--CA 1.476 1.309 0 CA-C-N 115.21 -0.904 . . . . 72.340000000000003 112.336 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.506 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 8.6 t-105 -74.15 -31.79 62.86 Favored 'General case' 0 CA--C 1.564 1.51 0 C-N-CA 123.928 0.891 . . . . 62.109999999999999 110.699 175.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 45' ' ' GLY . 6.4 mp -66.4 -36.36 82.63 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.596 -0.69 . . . . 74.129999999999995 110.705 172.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.487 HD23 HG22 ' A' ' 57' ' ' THR . 96.2 mt -71.68 -34.13 69.42 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.943 0.897 . . . . 73.329999999999998 112.627 175.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.634 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 7.9 ptt180 -60.9 -37.35 81.94 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 112.09 0.404 . . . . 73.530000000000001 112.09 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.634 ' HG3' ' HG3' ' A' ' 51' ' ' ARG . 44.3 mt-10 -100.36 -6.6 25.52 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.82 0.848 . . . . 65.329999999999998 112.031 -178.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 63.49 36.21 11.41 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 124.258 1.023 . . . . 71.530000000000001 112.359 174.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.509 ' HE3' ' HB2' ' A' ' 52' ' ' GLU . 14.9 ptpt -85.21 -5.87 59.3 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.222 0.609 . . . . 74.510000000000005 111.021 175.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.533 HG11 HD21 ' A' ' 68' ' ' LEU . 26.4 m -136.77 168.6 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 C-N-CA 124.465 1.106 . . . . 74.549999999999997 110.494 174.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.7 m -135.35 139.55 46.56 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 124.766 1.227 . . . . 73.510000000000005 109.598 168.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.487 HG22 HD23 ' A' ' 50' ' ' LEU . 39.9 p -106.78 148.1 28.87 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.624 0.769 . . . . 75.0 111.497 -173.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.2 m -137.82 154.31 49.54 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.833 1.253 . . . . 75.109999999999999 109.801 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -110.18 108.3 18.39 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.425 0.69 . . . . 73.519999999999996 109.368 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.4 t -121.43 109.34 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 123.473 0.709 . . . . 75.129999999999995 110.357 -173.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 51.59 32.54 9.23 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.249 1.42 . . . . 74.349999999999994 113.97 173.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.98 -21.45 45.83 Favored Glycine 0 CA--C 1.538 1.52 0 N-CA-C 114.639 0.615 . . . . 72.540000000000006 114.639 -178.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -80.05 136.35 36.55 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 117.834 0.817 . . . . 74.299999999999997 111.661 176.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 66.5 mt -75.1 100.79 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 N-CA-C 109.084 -0.71 . . . . 75.129999999999995 109.084 167.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -92.13 140.37 29.7 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.345 0.658 . . . . 74.420000000000002 109.959 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.0 p -140.46 147.31 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 C-N-CA 123.226 0.61 . . . . 65.310000000000002 110.726 172.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.7 147.31 35.45 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.098 0.559 . . . . 62.409999999999997 110.696 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.533 HD21 HG11 ' A' ' 55' ' ' VAL . 69.8 mt -64.11 147.3 52.55 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 110.347 -0.242 . . . . 71.430000000000007 110.347 174.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 78.5 t . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 121.54 0.686 . . . . 75.120000000000005 109.93 174.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 84.8 mtp . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.529 0.204 . . . . 75.140000000000001 111.485 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.68 -16.93 64.57 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.536 0.734 . . . . 72.420000000000002 112.381 175.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -60.92 -35.36 76.51 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.069 0.948 . . . . 71.510000000000005 112.305 172.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -63.16 -36.75 84.67 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.669 0.787 . . . . 72.519999999999996 112.41 -170.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -31.68 68.56 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 112.338 0.495 . . . . 74.340000000000003 112.338 178.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.76 84.94 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 122.85 0.46 . . . . 75.439999999999998 110.583 176.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.29 -34.46 57.78 Favored Glycine 0 CA--C 1.539 1.588 0 CA-C-N 115.37 -0.832 . . . . 73.510000000000005 113.518 174.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.47 -52.1 36.16 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.189 0.596 . . . . 65.109999999999999 111.206 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -57.63 -37.47 73.36 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.3 1.04 . . . . 75.239999999999995 111.383 174.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' B' ' 48' ' ' TRP . . . -56.88 -45.71 82.33 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.587 0.555 . . . . 64.230000000000004 112.035 175.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.01 -48.69 85.01 Favored Glycine 0 C--N 1.347 1.171 0 O-C-N 123.884 0.74 . . . . 74.450000000000003 113.211 175.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -59.85 -48.87 79.96 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 123.748 0.819 . . . . 75.230000000000004 111.777 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.568 HG21 HG22 ' B' ' 30' ' ' ILE . 97.9 mt -62.93 -44.75 99.82 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 124.061 0.945 . . . . 65.510000000000005 111.603 177.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -63.69 -39.5 94.46 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.478 0.711 . . . . 63.009999999999998 111.753 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -69.05 -26.42 64.96 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.654 0.782 . . . . 61.119999999999997 112.077 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.74 -29.89 65.01 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.029 0.532 . . . . 65.450000000000003 111.242 170.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.528 HD22 ' HA2' ' B' ' 24' ' ' GLY . 87.3 mt -86.69 -21.16 26.83 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.773 0.829 . . . . 72.219999999999999 111.811 176.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . 0.443 ' HA ' HD11 ' B' ' 68' ' ' LEU . 29.5 t-20 -70.05 120.54 15.9 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.74 0.816 . . . . 65.109999999999999 110.909 -179.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.97 -33.62 5.62 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 115.801 -0.636 . . . . 54.210000000000001 113.04 -175.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 31.9 p -89.12 173.63 8.33 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.423 0.689 . . . . 74.450000000000003 111.702 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -89.65 8.57 30.81 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.832 0.853 . . . . 75.010000000000005 111.889 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.528 ' HA2' HD22 ' B' ' 19' ' ' LEU . . . 91.9 141.42 10.01 Favored Glycine 0 C--N 1.353 1.473 0 C-N-CA 122.835 0.255 . . . . 72.510000000000005 113.451 -176.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.84 176.54 5.35 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.913 0.885 . . . . 75.329999999999998 110.649 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 75.8 p -87.1 166.37 15.05 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 122.72 0.408 . . . . 73.099999999999994 110.326 172.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . 0.408 ' HG2' ' CD2' ' B' ' 42' ' ' PHE . 0.3 OUTLIER -51.9 -51.2 58.52 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.36 1.064 . . . . 73.400000000000006 111.474 -174.188 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -61.69 -32.42 72.61 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 113.116 0.784 . . . . 71.230000000000004 113.116 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -74.83 -40.95 60.77 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.156 0.582 . . . . 73.150000000000006 111.707 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.568 HG22 HG21 ' B' ' 15' ' ' ILE . 57.4 mt -71.79 -47.13 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 123.183 0.593 . . . . 71.310000000000002 111.492 -177.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -61.88 -29.39 70.16 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.518 0.327 . . . . 75.200000000000003 111.707 178.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -70.79 -49.88 41.77 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.126 0.57 . . . . 65.099999999999994 109.666 174.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.7 91.05 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.83 0.852 . . . . 73.420000000000002 112.379 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.474 ' OG1' ' HG ' ' B' ' 36' ' ' LEU . 72.2 p -86.44 -8.07 57.92 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.164 0.986 . . . . 72.120000000000005 111.874 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.6 ' HB3' ' HZ3' ' B' ' 35' ' ' LYS . 8.1 mtpm? 62.68 37.89 12.42 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 125.059 1.343 . . . . 74.409999999999997 112.435 177.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.474 ' HG ' ' OG1' ' B' ' 34' ' ' THR . 88.8 mt -64.49 127.59 32.15 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.482 0.713 . . . . 74.430000000000007 110.436 173.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 pptp? -67.29 -22.99 65.62 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.354 0.662 . . . . 73.510000000000005 112.596 -172.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.93 172.74 12.33 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.119 0.967 . . . . 73.109999999999999 110.878 174.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -69.81 -28.79 66.02 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.788 0.835 . . . . 65.239999999999995 110.224 170.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -63.75 -29.83 71.0 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.488 1.115 . . . . 75.209999999999994 112.952 -175.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -60.0 -41.23 91.66 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.517 0.727 . . . . 55.219999999999999 110.623 174.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.452 ' HA ' HD11 ' B' ' 15' ' ' ILE . 65.7 t80 -64.76 -43.73 92.34 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 114.849 -1.069 . . . . 71.439999999999998 111.763 -178.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -66.44 -33.44 75.7 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 122.96 0.504 . . . . 74.409999999999997 112.306 -173.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.66 -43.34 66.24 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.284 0.634 . . . . 75.409999999999997 111.309 175.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . 0.408 ' O ' HD12 ' B' ' 49' ' ' LEU . . . -66.46 -42.33 93.8 Favored Glycine 0 CA--C 1.537 1.464 0 CA-C-N 116.369 -0.378 . . . . 74.349999999999994 113.192 176.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.6 tp -64.45 -33.42 75.84 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.27 1.028 . . . . 74.120000000000005 111.27 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.28 -34.02 87.88 Favored Glycine 0 N--CA 1.472 1.058 0 CA-C-N 115.726 -0.67 . . . . 73.129999999999995 112.365 176.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' TRP . . . . . 0.466 ' HB3' ' HB1' ' B' ' 12' ' ' ALA . 21.0 t-105 -77.0 -34.68 57.49 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 123.034 0.533 . . . . 75.200000000000003 110.861 175.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.436 ' HB3' ' CG2' ' B' ' 55' ' ' VAL . 8.0 mp -56.42 -40.64 75.06 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.473 0.709 . . . . 74.040000000000006 111.779 172.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -67.6 -42.41 82.47 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.783 0.833 . . . . 72.430000000000007 112.466 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -18.8 60.89 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 112.181 0.437 . . . . 72.25 112.181 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.556 ' HB2' ' HD2' ' B' ' 54' ' ' LYS . 12.0 mm-40 -91.86 -15.53 28.02 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.673 0.389 . . . . 65.420000000000002 111.642 174.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 56.26 29.55 15.11 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.202 1.001 . . . . 64.349999999999994 111.581 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.556 ' HD2' ' HB2' ' B' ' 52' ' ' GLU . 1.8 ptmm? -86.4 -7.64 58.29 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 114.638 -1.165 . . . . 74.310000000000002 110.863 -177.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.436 ' CG2' ' HB3' ' B' ' 49' ' ' LEU . 34.8 m -138.35 178.92 3.7 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.224 0 C-N-CA 124.69 1.196 . . . . 71.209999999999994 111.419 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 p -141.96 140.14 30.22 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 124.38 1.072 . . . . 72.019999999999996 110.498 169.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 46.2 p -110.19 134.39 52.27 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.204 1.002 . . . . 62.530000000000001 112.12 -173.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 38.3 t -135.44 170.55 15.76 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.426 1.491 . . . . 74.349999999999994 109.81 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -112.37 107.54 16.39 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.761 0.424 . . . . 64.450000000000003 110.584 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 39.6 t -113.68 117.57 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 124.02 0.928 . . . . 74.150000000000006 110.62 178.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 58.87 37.96 24.66 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 124.928 1.291 . . . . 71.299999999999997 112.94 172.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.1 12.42 84.65 Favored Glycine 0 CA--C 1.537 1.424 0 CA-C-N 115.866 -0.606 . . . . 72.239999999999995 113.834 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -127.2 155.75 42.92 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.745 0.818 . . . . 73.519999999999996 111.107 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 69.2 mt -74.83 111.69 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 C-N-CA 123.418 0.687 . . . . 74.140000000000001 110.168 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -94.65 135.49 36.06 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.71 -0.848 . . . . 74.209999999999994 108.71 169.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 8.8 p -139.36 143.56 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-O 120.834 0.35 . . . . 73.409999999999997 111.015 174.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -146.15 162.55 37.74 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.506 0.722 . . . . 64.120000000000005 110.466 -177.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.443 HD11 ' HA ' ' B' ' 20' ' ' ASN . 17.6 mt -70.56 154.19 42.12 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 120.451 0.167 . . . . 74.439999999999998 110.828 175.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 52.7 t . . . . . 0 CA--C 1.558 1.252 0 C-N-CA 122.644 0.378 . . . . 71.239999999999995 110.141 176.336 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.6 mt . . . . . 0 N--CA 1.496 1.863 0 N-CA-C 113.143 0.794 . . . . 72.239999999999995 113.143 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -64.76 -34.01 77.32 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.699 0.4 . . . . 71.0 112.069 174.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -62.11 -38.88 90.55 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.289 0.636 . . . . 73.340000000000003 112.435 -170.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.527 ' HZ3' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -66.24 -32.3 73.64 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.717 0.407 . . . . 71.25 111.786 178.616 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.0 -35.0 78.98 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.267 0.627 . . . . 71.150000000000006 111.07 175.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.09 -32.35 63.23 Favored Glycine 0 C--N 1.351 1.392 0 CA-C-N 115.461 -0.791 . . . . 60.25 113.289 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.4 -49.53 68.91 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.332 0.653 . . . . 60.219999999999999 111.08 174.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.468 HD23 HD23 ' A' ' 36' ' ' LEU . 64.9 mt -67.0 -27.01 67.08 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.332 0.653 . . . . 74.420000000000002 111.525 178.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.411 ' HB3' ' HB3' ' A' ' 48' ' ' TRP . . . -59.71 -45.25 92.73 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.261 0.625 . . . . 75.450000000000003 111.59 172.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.07 -32.37 82.07 Favored Glycine 0 CA--C 1.537 1.414 0 CA-C-N 115.618 -0.719 . . . . 51.340000000000003 113.394 175.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -69.43 -48.96 59.32 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.375 0.67 . . . . 74.019999999999996 111.583 177.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.437 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 64.8 mt -69.55 -46.38 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 123.48 0.712 . . . . 73.109999999999999 111.507 -176.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -57.27 -43.04 82.71 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.823 0.849 . . . . 74.129999999999995 110.816 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -59.45 -43.49 93.14 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.532 1.133 . . . . 75.209999999999994 111.015 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.17 -29.1 68.7 Favored 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 123.484 0.714 . . . . 65.109999999999999 112.569 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 61.8 mt -83.79 -25.18 30.67 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.255 0.622 . . . . 72.200000000000003 111.518 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -70.27 136.77 50.18 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.749 0.82 . . . . 72.150000000000006 111.61 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.35 9.9 73.73 Favored Glycine 0 N--CA 1.48 1.573 0 CA-C-N 116.195 -0.457 . . . . 54.399999999999999 113.85 -175.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 m -134.44 169.57 17.05 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.859 1.264 . . . . 74.549999999999997 108.322 -177.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -88.22 29.13 0.98 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.767 0.427 . . . . 70.349999999999994 110.68 168.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.414 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 79.86 -175.87 54.85 Favored Glycine 0 C--N 1.344 1.001 0 CA-C-O 121.408 0.449 . . . . 74.340000000000003 113.81 -177.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.58 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 95.7 mt -145.39 164.14 32.41 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.217 1.007 . . . . 74.329999999999998 109.444 -174.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.7 p -78.2 164.86 24.57 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 109.447 -0.575 . . . . 71.109999999999999 109.447 169.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 18.0 pt20 -54.33 -39.48 67.08 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.711 0.404 . . . . 74.310000000000002 110.558 178.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -57.55 -52.16 66.54 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.126 1.37 . . . . 70.5 112.003 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.58 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 17.6 mm-40 -65.72 -34.8 79.04 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.582 0.753 . . . . 71.420000000000002 111.437 -177.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.422 HD12 HD22 ' A' ' 19' ' ' LEU . 97.5 mt -70.56 -41.6 78.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 123.435 0.694 . . . . 73.540000000000006 111.263 177.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 12.2 mmmm -58.77 -39.34 80.73 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.288 0.635 . . . . 72.109999999999999 111.361 177.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -68.7 -41.7 78.75 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.263 -0.88 . . . . 74.299999999999997 111.821 176.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.57 -45.93 70.75 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.524 0.729 . . . . 53.020000000000003 112.357 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.5 p -90.96 -14.88 30.7 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.342 1.057 . . . . 72.430000000000007 112.476 -172.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 66.15 42.0 3.32 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 124.537 1.135 . . . . 72.329999999999998 111.874 174.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.468 HD23 HD23 ' A' ' 11' ' ' LEU . 97.0 mt -83.14 138.0 33.84 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.562 0.345 . . . . 73.329999999999998 111.605 -177.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -66.51 -36.11 81.92 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.973 0.909 . . . . 75.040000000000006 112.533 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.18 152.6 47.53 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.266 0.626 . . . . 70.310000000000002 111.576 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -59.96 -25.58 65.32 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.982 0.913 . . . . 72.450000000000003 111.35 171.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -53.11 -43.74 67.11 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.807 1.243 . . . . 74.5 112.176 172.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -67.97 -34.61 76.88 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.45 0.7 . . . . 71.420000000000002 110.819 178.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -63.81 -36.61 84.48 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 115.413 -0.812 . . . . 73.120000000000005 111.256 173.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -71.28 -34.5 70.72 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 122.566 0.347 . . . . 63.329999999999998 111.744 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -71.07 -42.49 69.33 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.247 0.619 . . . . 74.209999999999994 111.047 175.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.19 -53.91 23.48 Favored Glycine 0 CA--C 1.537 1.445 0 CA-C-N 116.417 -0.356 . . . . 71.010000000000005 112.969 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.1 tp -62.03 -30.39 70.94 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.267 1.027 . . . . 74.349999999999994 111.644 176.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.34 -30.92 75.44 Favored Glycine 0 N--CA 1.475 1.237 0 CA-C-N 116.007 -0.542 . . . . 71.450000000000003 112.712 174.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.474 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 2.3 t-105 -76.91 -36.06 56.93 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 123.154 0.582 . . . . 74.439999999999998 110.694 174.038 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.486 HD23 HG13 ' A' ' 55' ' ' VAL . 7.5 mp -63.46 -31.77 73.02 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.069 0.547 . . . . 74.329999999999998 111.391 173.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 tt -76.5 -42.92 41.7 Favored 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 123.376 0.671 . . . . 75.140000000000001 109.722 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.642 ' HB2' ' HB3' ' B' ' 51' ' ' ARG . 9.1 ptp180 -60.64 -33.06 72.24 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 113.817 1.043 . . . . 75.549999999999997 113.817 -172.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -102.39 0.87 34.63 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.103 0.561 . . . . 73.329999999999998 112.066 178.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.7 t70 62.54 44.3 7.08 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 122.436 1.113 . . . . 72.439999999999998 110.503 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -76.61 -32.62 58.17 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 114.586 -1.188 . . . . 71.409999999999997 110.703 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.486 HG13 HD23 ' A' ' 49' ' ' LEU . 29.8 m -132.5 173.44 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.41 0.684 . . . . 74.239999999999995 112.302 -173.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -122.2 138.57 51.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 C-N-CA 124.827 1.251 . . . . 63.109999999999999 109.548 170.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.454 ' HA ' HG13 ' A' ' 66' ' ' VAL . 46.8 p -101.72 136.27 41.84 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.751 0.821 . . . . 54.009999999999998 111.819 -175.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.1 t -146.66 172.23 13.92 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.787 1.235 . . . . 70.349999999999994 109.685 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.88 121.64 33.77 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 121.668 0.747 . . . . 63.229999999999997 111.046 173.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.9 t -105.22 111.04 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.506 0.722 . . . . 75.450000000000003 109.795 172.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 58.89 41.79 20.7 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.627 1.171 . . . . 75.049999999999997 112.869 172.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.68 7.24 88.77 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 115.463 -0.789 . . . . 73.430000000000007 114.629 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -119.46 151.2 38.95 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.454 0.701 . . . . 75.430000000000007 110.744 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 74.4 mt -69.8 129.57 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 122.845 0.458 . . . . 75.340000000000003 110.278 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -132.0 122.03 24.86 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.4 1.08 . . . . 72.040000000000006 109.143 177.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.454 HG13 ' HA ' ' A' ' 57' ' ' THR . 28.9 m -128.67 151.26 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.045 0.538 . . . . 71.530000000000001 111.356 -179.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.414 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 62.5 pttt -155.32 162.02 40.94 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 122.929 0.492 . . . . 75.319999999999993 110.923 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.478 HD23 HG12 ' A' ' 55' ' ' VAL . 35.4 mt -63.25 145.73 54.91 Favored 'General case' 0 CA--C 1.557 1.215 0 CA-C-O 120.897 0.38 . . . . 72.099999999999994 111.663 -179.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 0 N--CA 1.489 1.513 0 C-N-CA 123.898 0.879 . . . . 73.450000000000003 111.592 179.645 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' MET . . . . . 0.465 ' HG3' ' HB3' ' B' ' 5' ' ' LYS . 20.6 ptm . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.881 0.372 . . . . 74.219999999999999 111.993 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.41 -17.17 64.16 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 123.703 0.801 . . . . 73.349999999999994 111.945 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.465 ' HB3' ' HG3' ' B' ' 3' ' ' MET . 88.4 tttt -66.89 -30.7 70.93 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.991 0.916 . . . . 75.109999999999999 111.732 172.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -62.25 -51.88 65.97 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.443 0.697 . . . . 73.439999999999998 111.621 -177.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.404 ' HZ1' ' HB2' ' B' ' 7' ' ' LYS . 0.0 OUTLIER -63.48 -31.26 72.37 Favored 'General case' 0 CA--C 1.555 1.148 0 O-C-N 123.225 0.328 . . . . 63.439999999999998 111.866 179.862 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.27 -50.71 66.85 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 120.905 0.383 . . . . 71.219999999999999 111.909 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.26 -35.57 52.53 Favored Glycine 0 CA--C 1.539 1.551 0 N-CA-C 114.772 0.669 . . . . 72.120000000000005 114.772 -176.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.07 -50.03 57.66 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.149 0.58 . . . . 73.420000000000002 112.414 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.562 HD21 HD21 ' B' ' 36' ' ' LEU . 82.4 mt -62.41 -24.81 67.6 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 123.175 0.59 . . . . 74.430000000000007 111.919 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.96 -36.92 68.35 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.009 0.924 . . . . 74.040000000000006 112.414 174.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.32 -49.02 83.17 Favored Glycine 0 CA--C 1.538 1.482 0 CA-C-N 116.08 -0.509 . . . . 73.439999999999998 113.524 175.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -64.62 -43.72 92.84 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.724 0.81 . . . . 74.25 111.72 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.472 HD13 ' HA3' ' B' ' 45' ' ' GLY . 77.7 mt -63.79 -39.73 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 123.629 0.772 . . . . 73.120000000000005 111.243 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -58.38 -49.36 77.53 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.0 0.52 . . . . 74.099999999999994 110.95 174.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.6 -33.97 74.83 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.799 0.84 . . . . 73.540000000000006 112.261 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.74 81.54 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.193 0.597 . . . . 64.040000000000006 111.59 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.598 HD22 ' HA ' ' B' ' 67' ' ' LYS . 7.5 mp -96.59 -10.75 26.49 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.539 0.736 . . . . 63.100000000000001 112.311 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -60.64 122.49 14.86 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.244 0.617 . . . . 73.200000000000003 111.644 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.01 22.07 77.07 Favored Glycine 0 CA--C 1.539 1.586 0 CA-C-N 116.521 -0.309 . . . . 62.409999999999997 113.512 -177.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.603 HG22 ' H ' ' B' ' 24' ' ' GLY . 27.3 m -121.01 147.08 45.99 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.761 0.824 . . . . 73.450000000000003 111.258 -176.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.68 -17.42 64.07 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 125.04 1.336 . . . . 72.439999999999998 113.114 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.603 ' H ' HG22 ' B' ' 22' ' ' THR . . . 129.12 149.69 6.92 Favored Glycine 0 C--N 1.348 1.24 0 C-N-CA 123.161 0.41 . . . . 71.329999999999998 113.02 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 90.3 mt -136.52 159.22 42.44 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.681 0.792 . . . . 75.25 110.774 -177.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 69.8 p -97.88 169.11 9.88 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.602 0.761 . . . . 73.439999999999998 110.515 170.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -55.81 -33.63 64.61 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 113.373 0.879 . . . . 74.030000000000001 113.373 -173.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.09 -48.32 82.24 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.833 0.853 . . . . 74.430000000000007 112.024 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -70.13 -37.57 75.31 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 115.518 -0.764 . . . . 75.230000000000004 111.561 -177.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.45 HG21 HG21 ' B' ' 15' ' ' ILE . 51.1 mt -73.5 -46.58 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 123.167 0.587 . . . . 74.430000000000007 111.663 -177.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -61.74 -34.53 75.99 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 122.636 0.374 . . . . 75.310000000000002 111.11 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -70.53 -40.62 73.36 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.318 0.647 . . . . 74.409999999999997 110.765 176.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.92 -35.55 78.63 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.589 0.756 . . . . 73.140000000000001 112.324 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 72.0 p -93.13 -9.39 39.62 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.125 0.97 . . . . 74.340000000000003 112.364 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 64.1 mttm 71.18 19.86 5.31 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 125.31 1.444 . . . . 75.319999999999993 111.969 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.562 HD21 HD21 ' B' ' 11' ' ' LEU . 89.4 mt -76.87 110.2 11.29 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.475 0.71 . . . . 74.409999999999997 110.012 175.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -67.72 -46.39 72.33 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.887 0.875 . . . . 73.439999999999998 110.752 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.6 132.36 36.38 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.223 0.609 . . . . 71.200000000000003 111.195 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.31 -24.71 64.87 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.077 0.951 . . . . 74.439999999999998 112.237 178.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -63.55 -34.48 77.89 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.799 0.84 . . . . 74.400000000000006 111.867 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . 0.465 ' HB3' HD11 ' B' ' 11' ' ' LEU . 2.0 m-20 -65.69 -37.8 87.47 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.945 0.898 . . . . 73.200000000000003 110.785 173.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -66.15 -46.75 76.33 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 115.44 -0.8 . . . . 75.129999999999995 111.533 174.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -62.38 -36.77 83.33 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 112.464 0.542 . . . . 74.209999999999994 112.464 -175.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.12 -37.17 64.2 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.248 0.619 . . . . 74.209999999999994 111.581 176.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . 0.472 ' HA3' HD13 ' B' ' 15' ' ' ILE . . . -67.3 -54.82 18.28 Favored Glycine 0 CA--C 1.541 1.664 0 O-C-N 123.108 0.255 . . . . 71.530000000000001 112.815 177.247 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.408 HD22 HG11 ' B' ' 66' ' ' VAL . 53.4 tp -57.83 -34.04 69.27 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.47 1.108 . . . . 70.319999999999993 111.743 172.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.57 -31.74 80.87 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-N 115.948 -0.569 . . . . 71.349999999999994 112.495 175.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' TRP . . . . . 0.497 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 15.7 t-105 -76.65 -29.98 56.63 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 123.405 0.682 . . . . 74.219999999999999 110.967 174.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.33 -30.86 71.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.84 -0.537 . . . . 73.430000000000007 110.853 170.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.542 ' HB3' HH12 ' A' ' 51' ' ' ARG . 88.2 mt -74.74 -36.16 62.63 Favored 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 123.82 0.848 . . . . 70.230000000000004 112.732 178.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.642 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -70.84 -25.97 63.07 Favored 'General case' 0 N--CA 1.503 2.208 0 CA-C-N 118.292 0.496 . . . . 75.209999999999994 112.015 174.405 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -88.89 -8.54 54.06 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.946 -0.57 . . . . 75.420000000000002 110.869 173.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 p30 51.84 24.6 2.58 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 126.261 1.824 . . . . 74.409999999999997 112.789 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.5 ' HZ1' ' HB3' ' B' ' 54' ' ' LYS . 0.1 OUTLIER -84.38 7.86 18.13 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.799 0.839 . . . . 73.219999999999999 112.17 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.8 m -135.68 163.95 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 C-N-CA 123.563 0.745 . . . . 72.030000000000001 111.357 169.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 14.1 m -122.67 139.91 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.894 0.878 . . . . 75.319999999999993 110.815 170.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 62.1 p -103.01 132.84 48.98 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.76 0.824 . . . . 75.310000000000002 111.292 -178.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 34.1 t -141.97 158.77 43.38 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.159 0.984 . . . . 73.040000000000006 109.053 176.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -110.11 108.39 18.55 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.11 0.481 . . . . 73.519999999999996 110.41 -177.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.462 HG12 ' HG3' ' B' ' 61' ' ' GLU . 93.0 t -107.99 111.65 36.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.81 0.844 . . . . 72.420000000000002 109.036 175.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . 0.462 ' HG3' HG12 ' B' ' 60' ' ' VAL . 26.3 mt-10 61.83 32.26 18.12 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.984 1.313 . . . . 75.0 112.026 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.25 -26.39 10.31 Favored Glycine 0 CA--C 1.539 1.54 0 CA-C-N 116.411 -0.358 . . . . 75.349999999999994 113.952 -174.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -81.42 153.94 26.66 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.643 0.777 . . . . 74.400000000000006 112.972 -177.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 63.0 mt -77.43 114.99 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.761 0.824 . . . . 72.430000000000007 110.178 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -111.89 122.22 47.19 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.093 0.957 . . . . 72.420000000000002 108.995 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.43 HG22 HD21 ' B' ' 19' ' ' LEU . 16.7 m -128.32 154.12 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.256 0.622 . . . . 74.319999999999993 111.492 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.598 ' HA ' HD22 ' B' ' 19' ' ' LEU . 20.9 pttp -154.46 153.21 31.15 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 115.973 -0.558 . . . . 74.299999999999997 110.36 176.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.6 145.69 55.21 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 120.946 0.403 . . . . 75.129999999999995 111.708 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 CA--C 1.543 0.677 0 N-CA-C 108.919 -0.771 . . . . 75.530000000000001 108.919 171.136 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.1 mtm . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 121.087 0.47 . . . . 72.510000000000005 110.318 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -111.02 109.57 19.73 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.121 0.968 . . . . 71.510000000000005 110.071 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.2 mmt -83.46 147.99 27.51 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.015 0.926 . . . . 73.150000000000006 113.408 -173.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.94 -14.14 20.63 Favored 'General case' 0 CA--C 1.564 1.481 0 CA-C-N 114.615 -1.175 . . . . 75.400000000000006 112.031 168.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -65.96 -44.27 85.47 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.727 0.811 . . . . 74.340000000000003 111.727 173.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -61.6 -41.61 97.68 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.483 0.713 . . . . 74.129999999999995 110.874 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.655 ' HZ1' HD11 ' A' ' 11' ' ' LEU . 57.2 tttm -55.67 -53.66 53.86 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 114.591 -1.186 . . . . 75.140000000000001 111.169 169.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.11 -29.64 67.52 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.405 1.082 . . . . 74.540000000000006 112.809 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.86 -36.54 52.44 Favored Glycine 0 CA--C 1.536 1.376 0 CA-C-N 115.845 -0.616 . . . . 73.120000000000005 113.519 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.55 -39.09 81.23 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.465 0.706 . . . . 73.200000000000003 110.997 174.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.655 HD11 ' HZ1' ' A' ' 7' ' ' LYS . 70.8 mt -64.01 -41.16 97.55 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.883 0.873 . . . . 74.129999999999995 110.726 174.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.33 -42.08 86.02 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.55 0.74 . . . . 62.420000000000002 112.557 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.29 -54.34 38.72 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-N 115.652 -0.704 . . . . 65.420000000000002 113.741 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -67.97 -33.77 75.28 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 112.629 0.603 . . . . 74.5 112.629 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.493 HD12 ' HA3' ' A' ' 45' ' ' GLY . 87.5 mt -68.99 -43.18 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 C-N-CA 122.824 0.449 . . . . 74.430000000000007 111.003 176.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -59.88 -44.46 94.19 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 122.988 0.515 . . . . 75.140000000000001 111.082 174.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.31 -26.7 66.65 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.567 0.747 . . . . 75.519999999999996 112.328 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.46 -36.31 68.47 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.165 0.586 . . . . 61.409999999999997 111.317 173.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.1 mt -83.11 -15.7 49.75 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.705 0.802 . . . . 75.430000000000007 111.835 176.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -79.73 128.32 33.27 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.053 0.941 . . . . 75.209999999999994 109.396 173.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.24 -2.7 71.7 Favored Glycine 0 CA--C 1.541 1.7 0 N-CA-C 113.941 0.336 . . . . 71.209999999999994 113.941 -177.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.6 t -129.99 165.26 22.51 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.611 0.764 . . . . 72.310000000000002 110.734 175.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -93.31 -0.11 56.78 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 112.266 0.469 . . . . 74.329999999999998 112.266 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.32 140.18 3.65 Favored Glycine 0 C--N 1.352 1.42 0 N-CA-C 113.924 0.33 . . . . 62.409999999999997 113.924 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.0 mt -134.01 154.16 51.32 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.259 1.024 . . . . 72.409999999999997 109.928 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.533 ' HB ' ' HB3' ' A' ' 63' ' ' GLU . 38.0 p -92.28 173.24 7.92 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 110.005 -0.368 . . . . 72.120000000000005 110.005 171.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -51.03 -41.76 60.04 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 113.279 0.844 . . . . 71.319999999999993 113.279 -171.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.7 mttp -65.21 -43.49 91.37 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 112.773 0.657 . . . . 75.040000000000006 112.773 177.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -73.67 -31.95 63.73 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 112.189 0.44 . . . . 75.439999999999998 112.189 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.7 mt -67.06 -53.24 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.726 0.41 . . . . 74.340000000000003 110.205 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -62.96 -26.43 68.83 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 111.695 0.257 . . . . 74.540000000000006 111.695 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -66.79 -52.27 45.91 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.786 0.835 . . . . 75.439999999999998 110.452 174.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.72 -26.23 61.51 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 113.084 0.772 . . . . 72.409999999999997 113.084 -176.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.4 p -87.57 -17.8 31.17 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.975 0.91 . . . . 73.219999999999999 113.171 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.25 19.34 4.46 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 124.725 1.21 . . . . 72.019999999999996 112.175 -172.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.478 HD22 ' HB2' ' A' ' 41' ' ' ASP . 73.5 mt -63.31 116.72 5.75 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.572 0.349 . . . . 73.230000000000004 110.675 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -68.26 -31.45 70.93 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.139 0.576 . . . . 75.109999999999999 110.857 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.51 147.72 47.26 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.754 0.822 . . . . 73.400000000000006 112.187 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -59.79 -24.02 63.78 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 125.268 1.427 . . . . 71.299999999999997 112.703 171.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.4 ' H ' ' HG2' ' A' ' 40' ' ' LYS . 27.2 mmmt -51.42 -44.17 62.21 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 124.611 1.164 . . . . 72.019999999999996 111.837 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.478 ' HB2' HD22 ' A' ' 36' ' ' LEU . 4.2 m-20 -74.63 -31.15 61.89 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.589 -1.187 . . . . 70.319999999999993 111.447 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -60.34 -43.55 96.35 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.58 0.752 . . . . 75.510000000000005 111.368 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -64.79 -42.77 94.8 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.191 0.597 . . . . 62.240000000000002 112.504 -176.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 mp -66.75 -47.68 71.49 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 123.156 0.582 . . . . 75.0 111.645 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.512 ' O ' HD12 ' A' ' 49' ' ' LEU . . . -64.81 -45.86 91.36 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.242 -0.435 . . . . 55.140000000000001 113.103 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.2 tp -57.84 -41.3 82.02 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.252 1.021 . . . . 75.409999999999997 112.006 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.06 -31.23 80.01 Favored Glycine 0 N--CA 1.475 1.294 0 CA-C-N 115.249 -0.887 . . . . 73.5 112.423 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.465 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 22.3 t-105 -75.39 -28.07 59.32 Favored 'General case' 0 CA--C 1.562 1.439 0 C-N-CA 124.257 1.023 . . . . 74.510000000000005 111.578 177.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 45' ' ' GLY . 5.6 mp -73.24 -34.35 65.82 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.762 -0.586 . . . . 73.430000000000007 110.386 172.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.5 mt -67.79 -37.62 82.26 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.89 0.876 . . . . 74.030000000000001 111.868 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.609 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 8.5 ptt180 -61.73 -39.45 91.61 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 120.943 0.402 . . . . 73.439999999999998 111.756 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.609 ' HG3' ' HG3' ' A' ' 51' ' ' ARG . 53.1 mt-10 -93.36 -3.0 54.15 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.98 0.912 . . . . 73.030000000000001 111.966 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 64.39 27.51 13.64 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.102 0.961 . . . . 75.209999999999994 112.467 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -75.65 -20.7 58.3 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.344 0.658 . . . . 75.329999999999998 111.42 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.554 HG12 HD21 ' A' ' 68' ' ' LEU . 27.5 m -135.58 166.43 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-O 121.49 0.662 . . . . 72.340000000000003 111.959 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.3 p -127.41 134.0 66.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 124.438 1.095 . . . . 74.349999999999994 108.951 173.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.61 HG22 HG23 ' A' ' 66' ' ' VAL . 40.2 p -118.54 137.46 53.2 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.593 0.757 . . . . 72.430000000000007 111.14 -173.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -158.98 164.68 35.35 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.695 0.798 . . . . 75.329999999999998 110.082 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -95.57 129.92 42.6 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.359 0.6 . . . . 75.510000000000005 111.122 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.3 t -130.01 110.49 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.455 1.102 . . . . 74.140000000000001 108.425 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 55.83 31.95 18.65 Favored 'General case' 0 CA--C 1.566 1.582 0 C-N-CA 124.916 1.286 . . . . 74.219999999999999 113.556 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.36 -7.33 80.42 Favored Glycine 0 N--CA 1.481 1.667 0 N-CA-C 114.611 0.604 . . . . 73.310000000000002 114.611 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.533 ' HB3' ' HB ' ' A' ' 26' ' ' THR . 18.5 mm-40 -91.57 141.77 28.36 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.886 0.874 . . . . 72.510000000000005 112.065 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.9 mt -75.63 96.38 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.051 0 N-CA-C 109.513 -0.551 . . . . 72.150000000000006 109.513 168.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -86.37 119.41 26.61 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.793 0.837 . . . . 65.340000000000003 110.152 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.61 HG23 HG22 ' A' ' 57' ' ' THR . 22.0 t -125.27 144.99 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.637 0.775 . . . . 75.310000000000002 110.662 -176.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -158.21 155.16 28.51 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.665 0.386 . . . . 74.420000000000002 111.198 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.554 HD21 HG12 ' A' ' 55' ' ' VAL . 67.9 mt -63.37 140.78 58.91 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 122.676 0.39 . . . . 75.140000000000001 111.434 177.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.7 t -68.82 98.99 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 CA-C-O 121.345 0.593 . . . . 73.409999999999997 111.221 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.3 mt -103.14 -31.32 10.2 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.699 0.8 . . . . 75.349999999999994 110.158 174.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -157.79 159.32 36.62 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.719 0.808 . . . . 72.450000000000003 110.187 -174.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 -72.5 146.17 47.01 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.051 0.54 . . . . 75.409999999999997 111.767 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -138.13 124.96 21.11 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.317 0.647 . . . . 75.230000000000004 112.142 -175.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -102.95 24.56 10.55 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.682 0.793 . . . . 73.409999999999997 111.653 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -69.5 81.96 0.4 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.36 0.664 . . . . 74.329999999999998 109.708 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -82.44 88.23 6.61 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-O 121.819 0.818 . . . . 65.299999999999997 111.318 -173.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 . . . . . 0 N--CA 1.479 0.997 0 CA-C-N 115.528 -0.76 . . . . 74.450000000000003 110.191 -175.213 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.0 tpp . . . . . 0 CA--C 1.55 0.953 0 CA-C-O 120.922 0.391 . . . . 73.420000000000002 110.698 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -76.21 100.15 4.96 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 121.392 0.615 . . . . 63.25 110.933 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 71.2 mtm -100.8 167.48 10.27 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.838 0.855 . . . . 75.329999999999998 111.736 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.3 mp -71.29 -15.38 62.42 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.25 0.62 . . . . 70.310000000000002 111.693 172.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -74.07 -38.03 64.06 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.071 0.462 . . . . 74.319999999999993 110.342 167.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -67.08 -40.1 86.94 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.742 -0.663 . . . . 75.25 111.693 -175.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -27.23 62.5 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 111.835 0.309 . . . . 74.319999999999993 111.835 175.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.06 -45.2 89.85 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.071 0.548 . . . . 73.219999999999999 110.766 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.36 -40.25 94.5 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 115.216 -0.902 . . . . 71.209999999999994 113.46 174.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.56 85.7 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.483 0.713 . . . . 74.329999999999998 112.318 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.456 ' O ' HG12 ' B' ' 15' ' ' ILE . 97.0 mt -65.07 -31.78 73.16 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.232 0.613 . . . . 74.540000000000006 112.386 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.2 -30.41 49.61 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 113.086 0.773 . . . . 73.409999999999997 113.086 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.99 -53.28 44.08 Favored Glycine 0 CA--C 1.538 1.515 0 CA-C-N 116.003 -0.544 . . . . 51.030000000000001 114.023 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -74.44 -32.26 62.56 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 112.603 0.594 . . . . 73.340000000000003 112.603 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.459 HD12 HG23 ' B' ' 34' ' ' THR . 43.1 mm -63.54 -44.35 98.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 C-N-CA 122.938 0.495 . . . . 75.120000000000005 109.771 174.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -60.17 -44.38 95.07 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 115.3 -0.863 . . . . 72.530000000000001 111.571 172.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.14 -33.51 73.52 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 112.885 0.698 . . . . 71.030000000000001 112.885 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.87 -36.01 82.23 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-O 120.868 0.366 . . . . 74.129999999999995 111.215 174.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.5 HD23 HD11 ' B' ' 30' ' ' ILE . 98.1 mt -81.1 -19.78 42.88 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.628 0.771 . . . . 74.340000000000003 112.557 176.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -67.84 121.82 16.82 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.712 0.805 . . . . 72.450000000000003 111.133 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.46 8.3 85.15 Favored Glycine 0 CA--C 1.538 1.489 0 N-CA-C 114.458 0.543 . . . . 70.230000000000004 114.458 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 31.7 p -118.54 167.57 11.48 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 117.464 0.632 . . . . 71.049999999999997 111.6 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -81.67 12.0 4.27 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.224 1.01 . . . . 75.319999999999993 111.399 171.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.2 148.13 18.28 Favored Glycine 0 C--N 1.345 1.061 0 C-N-CA 123.512 0.577 . . . . 70.040000000000006 112.277 -171.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 67.5 mt -128.51 160.55 31.98 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.703 0.801 . . . . 73.150000000000006 110.164 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 46.3 p -83.47 169.92 15.0 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.975 -0.557 . . . . 74.200000000000003 110.716 172.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -55.78 -41.05 73.49 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.604 0.761 . . . . 74.349999999999994 112.71 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -72.66 -36.19 67.9 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.948 0.899 . . . . 72.099999999999994 112.598 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . 0.441 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 52.6 mt-30 -66.46 -41.39 89.12 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.722 0.409 . . . . 75.530000000000001 111.105 177.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.5 HD11 HD23 ' B' ' 19' ' ' LEU . 70.3 mt -66.93 -49.81 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 123.151 0.58 . . . . 72.239999999999995 110.855 174.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -54.74 -39.24 68.08 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 124.46 1.104 . . . . 70.519999999999996 112.266 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -66.63 -48.64 68.83 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.078 0.951 . . . . 74.519999999999996 110.941 175.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.93 -27.61 66.77 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.591 0.757 . . . . 70.040000000000006 112.622 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.459 HG23 HD12 ' B' ' 15' ' ' ILE . 72.9 p -94.55 -13.96 25.51 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.829 0.852 . . . . 73.049999999999997 112.732 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 60.1 tttp 70.74 29.45 3.2 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 124.58 1.152 . . . . 75.439999999999998 111.535 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 73.0 mt -74.29 124.42 26.41 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 121.453 -0.779 . . . . 73.150000000000006 110.654 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -75.03 -49.02 21.18 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.929 0.892 . . . . 73.510000000000005 110.798 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.76 136.26 43.79 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.111 0.965 . . . . 63.439999999999998 110.546 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -68.34 -23.93 64.75 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.788 0.835 . . . . 73.519999999999996 111.925 176.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -52.82 -32.91 46.69 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.199 1.0 . . . . 74.140000000000001 112.452 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -73.99 -35.41 64.45 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 124.301 1.04 . . . . 75.030000000000001 111.491 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.81 -42.48 75.72 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.948 0.899 . . . . 75.510000000000005 112.101 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -62.64 -33.91 75.99 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.389 0.676 . . . . 64.430000000000007 112.325 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -73.47 -36.7 65.89 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 123.303 0.641 . . . . 71.340000000000003 111.184 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . 0.448 ' O ' HD11 ' B' ' 49' ' ' LEU . . . -69.12 -50.09 36.19 Favored Glycine 0 CA--C 1.538 1.519 0 CA-C-N 116.526 -0.306 . . . . 74.120000000000005 112.491 174.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.15 -36.32 77.28 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.824 1.249 . . . . 75.129999999999995 111.823 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.35 -31.12 79.81 Favored Glycine 0 N--CA 1.473 1.155 0 CA-C-N 115.502 -0.772 . . . . 61.100000000000001 112.585 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -75.83 -28.22 58.18 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 123.716 0.807 . . . . 72.329999999999998 111.196 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.523 HD23 HG12 ' B' ' 55' ' ' VAL . 6.5 mp -70.56 -36.73 73.79 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.229 0.612 . . . . 75.099999999999994 110.639 171.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.49 HD22 HG22 ' B' ' 57' ' ' THR . 86.4 mt -71.47 -37.48 71.34 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.843 0.857 . . . . 75.439999999999998 112.171 177.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.621 ' HG3' ' HG3' ' B' ' 52' ' ' GLU . 5.9 ptt180 -59.76 -36.03 75.81 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 112.142 0.423 . . . . 74.430000000000007 112.142 -178.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.621 ' HG3' ' HG3' ' B' ' 51' ' ' ARG . 45.5 mt-10 -101.74 -2.26 30.58 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.747 0.819 . . . . 74.200000000000003 111.905 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 34.5 t70 64.18 27.8 14.0 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 124.28 1.032 . . . . 72.230000000000004 111.802 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.467 ' HE3' ' HB2' ' B' ' 52' ' ' GLU . 16.2 ptpt -82.34 0.2 42.83 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 121.33 -0.856 . . . . 73.200000000000003 111.695 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.523 HG12 HD23 ' B' ' 49' ' ' LEU . 28.9 m -136.12 163.91 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 123.925 0.89 . . . . 74.310000000000002 112.672 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.403 HG12 HG21 ' B' ' 69' ' ' VAL . 15.9 m -116.17 136.04 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.918 1.287 . . . . 73.540000000000006 110.803 168.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' THR . . . . . 0.49 HG22 HD22 ' B' ' 50' ' ' LEU . 17.0 p -103.82 148.17 26.43 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.545 0.688 . . . . 74.430000000000007 112.75 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 67.9 m -149.08 171.31 16.63 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.744 1.617 . . . . 74.040000000000006 109.312 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -122.67 123.94 42.28 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 122.057 -0.402 . . . . 73.329999999999998 109.931 172.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 64.7 t -110.28 108.09 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.529 0.732 . . . . 64.209999999999994 109.332 172.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 57.7 36.03 26.2 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.984 1.313 . . . . 62.030000000000001 113.42 172.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.95 7.89 83.19 Favored Glycine 0 N--CA 1.48 1.628 0 N-CA-C 114.584 0.593 . . . . 64.349999999999994 114.584 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -117.92 147.33 43.23 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.678 0.791 . . . . 72.0 110.024 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 61.6 mt -71.11 122.35 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 122.638 0.375 . . . . 73.0 110.841 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -114.24 134.33 55.0 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 108.682 -0.859 . . . . 75.030000000000001 108.682 170.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.2 149.11 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 122.86 0.464 . . . . 73.099999999999994 110.715 176.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -138.23 158.67 43.84 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.073 0.949 . . . . 74.129999999999995 108.877 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 78.8 mt -67.0 144.34 56.26 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 119.102 0.864 . . . . 73.310000000000002 110.911 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.403 HG21 HG12 ' B' ' 56' ' ' VAL . 6.7 p -74.43 1.96 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 C-N-CA 123.775 0.83 . . . . 75.230000000000004 112.961 -174.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 84.0 mt -54.64 -54.18 44.92 Favored 'General case' 0 CA--C 1.56 1.339 0 C-N-CA 124.797 1.239 . . . . 75.019999999999996 113.536 -171.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -149.74 -172.28 4.11 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 122.737 0.415 . . . . 75.230000000000004 111.706 -176.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -136.2 76.43 1.6 Allowed 'General case' 0 CA--C 1.566 1.585 0 N-CA-C 113.687 0.995 . . . . 75.109999999999999 113.687 -174.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -75.73 76.66 2.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.638 -0.664 . . . . 75.329999999999998 110.098 163.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -88.64 91.16 8.7 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-O 121.281 0.563 . . . . 71.219999999999999 110.588 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -109.49 133.78 52.68 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.095 0.958 . . . . 74.420000000000002 109.258 171.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 64.11 -161.16 0.29 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 124.064 0.946 . . . . 74.340000000000003 111.048 -173.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 13.5 t60 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 121.463 0.649 . . . . 62.399999999999999 110.847 -179.703 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.408 ' HG2' ' HG3' ' A' ' 6' ' ' GLU . 56.6 ttm . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 119.529 -0.272 . . . . 53.329999999999998 111.702 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -61.33 95.15 0.04 OUTLIER 'General case' 0 CA--C 1.562 1.425 0 CA-C-O 121.195 0.521 . . . . 74.209999999999994 111.707 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 61.9 mtm -134.25 165.02 26.07 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 124.632 1.173 . . . . 54.219999999999999 110.457 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.13 -31.32 68.84 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 122.682 0.393 . . . . 61.109999999999999 111.276 174.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -60.35 -50.16 74.72 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.592 1.157 . . . . 72.329999999999998 111.842 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.408 ' HG3' ' HG2' ' A' ' 1' ' ' MET . 10.6 tm-20 -74.22 -50.56 18.61 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.982 0.913 . . . . 73.310000000000002 112.123 -170.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -59.18 -32.62 70.08 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.297 0.48 . . . . 73.150000000000006 112.297 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.5 -32.87 65.45 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.095 0.558 . . . . 74.120000000000005 111.497 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.19 -38.14 47.37 Favored Glycine 0 CA--C 1.536 1.353 0 CA-C-N 115.715 -0.675 . . . . 71.239999999999995 113.681 175.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.77 -49.79 60.54 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.167 0.587 . . . . 74.209999999999994 111.451 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.0 mt -58.33 -38.9 78.07 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.296 1.038 . . . . 74.140000000000001 111.038 174.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -57.23 -45.99 83.39 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.782 0.66 . . . . 70.409999999999997 112.782 177.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -52.86 50.62 Favored Glycine 0 C--N 1.345 1.039 0 CA-C-N 115.655 -0.702 . . . . 71.040000000000006 113.611 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -68.42 -33.18 73.75 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 112.877 0.695 . . . . 74.140000000000001 112.877 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.426 HD11 ' HA3' ' A' ' 45' ' ' GLY . 84.2 mt -66.92 -49.63 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 122.515 0.326 . . . . 73.019999999999996 111.03 175.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.417 ' NE1' ' HB3' ' A' ' 54' ' ' LYS . 84.6 t90 -61.36 -44.51 97.04 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.062 0.545 . . . . 75.329999999999998 111.709 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -62.0 -32.7 73.2 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.2 0.6 . . . . 75.040000000000006 112.186 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.57 -31.35 62.04 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.995 0.518 . . . . 75.329999999999998 111.591 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.7 mt -75.2 -25.98 58.63 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.612 0.765 . . . . 74.310000000000002 111.864 173.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -74.29 139.07 43.99 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 121.038 0.447 . . . . 72.019999999999996 112.038 -173.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.44 -1.06 81.53 Favored Glycine 0 C--N 1.346 1.134 0 CA-C-N 115.725 -0.671 . . . . 63.539999999999999 113.055 -175.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 p -126.63 178.85 5.64 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.257 0.623 . . . . 75.519999999999996 110.376 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -82.31 2.55 31.61 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 112.574 0.583 . . . . 71.549999999999997 112.574 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 67' ' ' LYS . . . 98.68 144.1 16.13 Favored Glycine 0 C--N 1.35 1.306 0 CA-C-O 120.194 -0.225 . . . . 25.32 112.629 -170.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.518 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 3.1 mm? -116.82 163.96 15.38 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 117.582 0.691 . . . . 72.409999999999997 112.061 -173.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.3 p -81.39 165.4 21.35 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 115.699 -0.682 . . . . 74.310000000000002 110.154 172.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -52.67 -41.01 63.45 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.139 0.576 . . . . 73.030000000000001 111.763 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -60.25 -52.18 66.4 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.483 0.713 . . . . 73.109999999999999 112.665 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.518 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 16.6 mm-40 -66.48 -36.26 82.31 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.166 0.587 . . . . 73.530000000000001 112.366 -176.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.4 mt -65.18 -43.03 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.18 0.592 . . . . 75.420000000000002 110.45 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -68.47 -26.61 65.58 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.798 0.839 . . . . 74.209999999999994 111.316 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.487 ' HB3' ' HZ3' ' A' ' 32' ' ' LYS . 3.4 mmmp? -70.33 -54.34 12.95 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.262 0.625 . . . . 73.099999999999994 111.103 168.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.23 -35.72 78.01 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.941 0.896 . . . . 63.140000000000001 113.392 -174.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.6 p -102.63 -12.46 17.7 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.643 0.777 . . . . 61.149999999999999 112.083 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt 50.34 41.22 24.28 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 126.152 1.781 . . . . 74.420000000000002 113.857 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.61 137.24 56.6 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 114.89 -1.05 . . . . 74.530000000000001 111.654 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -69.28 -60.37 2.39 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.695 0.798 . . . . 73.329999999999998 110.406 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.86 148.92 21.8 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.171 -0.922 . . . . 65.340000000000003 110.79 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -61.2 -27.31 68.34 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 115.547 -0.751 . . . . 62.5 110.879 164.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -61.33 -29.02 69.63 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.152 0.981 . . . . 64.010000000000005 112.468 175.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -64.46 -40.29 95.42 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 120.921 0.391 . . . . 74.530000000000001 110.288 173.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -68.3 -36.47 79.4 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.6 -0.727 . . . . 64.340000000000003 111.317 176.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -69.19 -38.3 78.57 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 112.678 0.622 . . . . 72.140000000000001 112.678 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mp -70.42 -42.4 71.64 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 122.614 0.366 . . . . 72.420000000000002 110.909 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.448 ' O ' HD12 ' A' ' 49' ' ' LEU . . . -61.94 -54.51 34.56 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-N 116.308 -0.406 . . . . 73.409999999999997 113.342 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 64.0 tp -61.54 -32.43 72.49 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.02 0.928 . . . . 75.120000000000005 111.751 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.02 -33.16 86.49 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 121.243 0.357 . . . . 71.109999999999999 112.463 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.518 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 21.7 t-105 -77.71 -35.42 52.06 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 122.993 0.517 . . . . 72.239999999999995 110.622 173.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.632 HD23 HG13 ' A' ' 55' ' ' VAL . 6.2 mp -56.77 -33.7 66.87 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.898 -0.501 . . . . 63.240000000000002 111.635 172.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.443 ' O ' ' HE3' ' B' ' 5' ' ' LYS . 93.2 mt -66.74 -43.39 84.28 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 123.362 0.665 . . . . 71.200000000000003 112.029 174.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -73.27 -17.95 61.27 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.788 -0.57 . . . . 75.209999999999994 111.386 178.096 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.494 ' HB3' ' HG3' ' A' ' 54' ' ' LYS . 17.3 mm-40 -83.61 -31.87 26.04 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.244 0.618 . . . . 73.040000000000006 110.195 174.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.4 t0 62.72 31.66 16.51 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.711 1.204 . . . . 62.32 110.384 -175.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.494 ' HG3' ' HB3' ' A' ' 52' ' ' GLU . 54.2 mtmt -91.77 -4.08 55.4 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 115.159 -0.928 . . . . 74.019999999999996 112.1 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.632 HG13 HD23 ' A' ' 49' ' ' LEU . 30.2 m -127.32 150.75 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 112.88 0.696 . . . . 63.200000000000003 112.88 -177.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.2 t -107.4 122.03 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 108.324 -0.991 . . . . 71.030000000000001 108.324 167.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.405 ' O ' ' SD ' ' B' ' 3' ' ' MET . 27.9 p -103.74 132.07 50.34 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.617 0.599 . . . . 75.239999999999995 112.617 -169.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.4 m -135.34 167.63 20.69 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.449 0.699 . . . . 63.450000000000003 110.578 176.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -127.7 122.84 33.98 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.277 0.631 . . . . 73.540000000000006 109.796 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 67.0 t -115.82 108.51 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.857 0.863 . . . . 75.200000000000003 109.657 -177.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 49.7 49.76 19.5 Favored 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 125.115 1.366 . . . . 73.010000000000005 113.651 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.85 -22.75 39.22 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 115.031 0.773 . . . . 50.240000000000002 115.031 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -107.85 157.12 18.43 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 117.646 0.723 . . . . 72.219999999999999 111.852 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.6 mt -82.53 125.36 39.9 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.302 0 C-N-CA 123.368 0.667 . . . . 74.519999999999996 110.995 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.415 ' CE2' ' HD2' ' A' ' 67' ' ' LYS . 35.3 t80 -124.67 104.02 8.44 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.093 0.957 . . . . 75.439999999999998 109.44 176.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.9 m -108.2 137.68 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-O 121.948 0.88 . . . . 71.049999999999997 112.603 -174.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.418 ' HA ' ' HA3' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -113.07 179.3 4.0 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.168 1.387 . . . . 75.099999999999994 108.333 -177.726 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.428 HD21 HG12 ' A' ' 55' ' ' VAL . 58.0 mt -108.45 149.1 29.23 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.688 -0.632 . . . . 75.439999999999998 112.114 176.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.1 t -70.81 101.38 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 N-CA-C 108.113 -1.069 . . . . 73.140000000000001 108.113 162.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.81 -20.15 66.14 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.742 0.817 . . . . 70.439999999999998 111.959 -176.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -67.19 101.99 0.98 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.456 0.702 . . . . 74.409999999999997 109.483 168.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -124.06 144.25 49.97 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 112.712 0.634 . . . . 75.319999999999993 112.712 -172.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -113.66 -13.17 12.73 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.027 0.931 . . . . 74.409999999999997 110.806 169.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -113.93 159.62 19.7 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.215 1.006 . . . . 72.420000000000002 111.012 173.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.3 p80 -110.58 176.38 5.06 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.127 0.571 . . . . 61.409999999999997 111.911 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -82.23 136.79 35.02 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.069 0.947 . . . . 71.450000000000003 112.073 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 . . . . . 0 CA--C 1.552 1.051 0 CA-C-O 121.256 0.55 . . . . 74.099999999999994 110.27 174.868 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 CA--C 1.542 0.652 0 CA-C-O 121.042 0.449 . . . . 73.030000000000001 110.652 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -101.15 -3.77 28.53 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.192 0.597 . . . . 75.099999999999994 111.452 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.44 ' HG3' ' H ' ' B' ' 5' ' ' LYS . 45.6 tpp -61.06 141.74 57.17 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.306 1.042 . . . . 70.230000000000004 111.929 177.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.442 ' HA ' ' HG3' ' B' ' 7' ' ' LYS . 82.3 mt -63.53 -24.08 67.66 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 112.065 0.394 . . . . 75.450000000000003 112.065 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.443 ' HE3' ' O ' ' A' ' 50' ' ' LEU . 23.1 tptm -62.34 -43.62 98.39 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.475 1.11 . . . . 73.400000000000006 111.292 170.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -74.56 -47.06 34.86 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.142 0.577 . . . . 65.200000000000003 111.746 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.442 ' HG3' ' HA ' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -64.67 -25.02 67.77 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.109 0.164 . . . . 73.209999999999994 111.248 177.614 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.14 -44.49 87.86 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.823 0.449 . . . . 65.209999999999994 111.023 170.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.28 -41.5 78.72 Favored Glycine 0 C--N 1.35 1.355 0 CA-C-N 115.885 -0.598 . . . . 61.020000000000003 113.691 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.46 94.62 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.368 0.667 . . . . 74.120000000000005 112.134 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.42 HD13 ' HZ1' ' B' ' 7' ' ' LYS . 65.3 mt -68.74 -38.62 80.28 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.473 -0.785 . . . . 74.519999999999996 111.02 175.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.448 ' HB1' ' HB3' ' B' ' 48' ' ' TRP . . . -54.39 -41.15 68.89 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 112.926 0.713 . . . . 74.430000000000007 112.926 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.82 -53.76 43.6 Favored Glycine 0 C--N 1.346 1.113 0 O-C-N 123.595 0.559 . . . . 60.310000000000002 113.451 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -74.65 -29.8 61.38 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 112.761 0.652 . . . . 74.329999999999998 112.761 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 77.9 mt -67.76 -47.65 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 C-N-CA 122.716 0.407 . . . . 74.219999999999999 110.739 175.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -62.69 -41.52 99.15 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.887 0.475 . . . . 72.230000000000004 110.991 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.05 -27.31 67.28 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 112.892 0.701 . . . . 72.219999999999999 112.892 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.97 73.13 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 121.082 0.468 . . . . 63.32 110.744 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.457 HD22 ' HA2' ' B' ' 24' ' ' GLY . 99.8 mt -76.75 -23.46 52.99 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.836 0.854 . . . . 75.120000000000005 111.944 174.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -79.43 143.37 35.07 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.263 0.625 . . . . 74.200000000000003 110.198 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.413 ' H ' ' NE2' ' B' ' 72' ' ' HIS . . . 94.29 -13.35 67.5 Favored Glycine 0 CA--C 1.535 1.323 0 CA-C-N 115.866 -0.606 . . . . 73.549999999999997 112.22 -166.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 31.1 p -134.65 -177.39 4.59 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 124.067 0.947 . . . . 74.340000000000003 110.348 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -100.75 25.07 8.28 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.34 0.656 . . . . 62.229999999999997 110.862 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.688 ' HA3' ' HA ' ' B' ' 67' ' ' LYS . . . 98.08 173.77 33.02 Favored Glycine 0 CA--C 1.536 1.347 0 N-CA-C 115.384 0.914 . . . . 72.209999999999994 115.384 177.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.439 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 88.3 mt -150.41 167.22 27.75 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 124.985 1.314 . . . . 72.319999999999993 110.106 -174.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' B' ' 65' ' ' PHE . 39.0 p -78.59 164.89 24.28 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 109.955 -0.387 . . . . 75.230000000000004 109.955 170.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -49.73 -47.46 50.62 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.219 1.008 . . . . 75.239999999999995 112.045 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -68.42 -35.74 78.07 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 124.178 0.991 . . . . 70.310000000000002 112.121 -178.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . 0.439 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 97.6 mt-30 -73.17 -33.67 65.59 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.091 0.556 . . . . 65.120000000000005 112.054 176.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.402 HG13 ' O ' ' B' ' 26' ' ' THR . 81.5 mt -67.6 -43.66 86.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 123.253 0.621 . . . . 74.329999999999998 110.414 175.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -59.81 -27.36 66.52 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.749 0.819 . . . . 73.420000000000002 112.211 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -69.95 -43.27 71.9 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 123.786 0.834 . . . . 74.400000000000006 111.366 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.59 -41.79 44.93 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.597 0.759 . . . . 71.120000000000005 112.434 -177.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 77.4 p -81.62 -17.21 48.98 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.829 0.852 . . . . 70.510000000000005 112.718 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm 69.28 20.52 7.41 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.961 1.304 . . . . 73.519999999999996 112.106 -176.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 71.3 mt -72.49 110.11 6.64 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.999 0.52 . . . . 72.340000000000003 110.541 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -67.14 -48.49 67.89 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.116 0.966 . . . . 71.409999999999997 111.338 177.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.2 147.18 28.18 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 121.423 0.63 . . . . 62.310000000000002 112.146 -177.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -69.82 -36.22 75.44 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.817 0.847 . . . . 73.540000000000006 110.721 171.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -53.66 -44.57 69.77 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 125.696 1.598 . . . . 74.450000000000003 113.957 -174.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.21 -31.63 70.36 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.069 -0.514 . . . . 54.340000000000003 111.33 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -65.28 -42.32 93.3 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 116.067 -0.515 . . . . 75.150000000000006 111.627 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -62.27 -46.01 90.72 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 112.512 0.56 . . . . 74.230000000000004 112.512 -175.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mp -68.17 -39.74 82.49 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.921 0.489 . . . . 74.239999999999995 111.195 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . 0.462 ' O ' HD11 ' B' ' 49' ' ' LEU . . . -61.63 -48.37 84.83 Favored Glycine 0 CA--C 1.539 1.544 0 CA-C-N 116.568 -0.287 . . . . 51.43 112.893 173.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.06 -34.3 76.0 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.204 1.002 . . . . 70.439999999999998 111.689 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.67 -31.87 82.25 Favored Glycine 0 N--CA 1.471 0.976 0 CA-C-N 116.097 -0.501 . . . . 61.240000000000002 112.102 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' TRP . . . . . 0.448 ' HB3' ' HB1' ' B' ' 12' ' ' ALA . 12.0 t-105 -78.7 -29.98 45.77 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 123.461 0.705 . . . . 74.150000000000006 111.337 176.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.567 HD22 HG12 ' B' ' 55' ' ' VAL . 6.6 mp -64.8 -40.81 95.83 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 122.844 0.458 . . . . 71.120000000000005 110.867 170.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.3 mt -72.42 -34.15 67.63 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.172 0.989 . . . . 72.519999999999996 111.968 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -62.96 -26.7 68.96 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 122.761 0.424 . . . . 75.409999999999997 111.781 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.47 ' HB2' ' HE2' ' B' ' 54' ' ' LYS . 52.0 mt-10 -106.97 -4.27 19.24 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.459 0.704 . . . . 73.239999999999995 112.216 176.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 62.9 35.09 13.72 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.918 0.887 . . . . 71.340000000000003 111.67 175.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.47 ' HE2' ' HB2' ' B' ' 52' ' ' GLU . 47.9 mtmt -86.46 -8.66 57.42 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.634 0.774 . . . . 73.340000000000003 111.799 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.567 HG12 HD22 ' B' ' 49' ' ' LEU . 33.3 m -133.01 155.44 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 123.202 0.601 . . . . 75.319999999999993 112.276 -178.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 47.0 t -111.43 124.95 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.976 0.911 . . . . 74.25 109.24 169.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 26.6 p -103.26 146.33 28.6 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 121.676 0.75 . . . . 74.340000000000003 111.86 -176.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 64.1 m -149.17 172.56 14.63 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.002 1.321 . . . . 64.150000000000006 109.576 -174.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -116.17 109.25 17.2 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.964 -0.46 . . . . 54.219999999999999 110.374 175.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 74.6 t -117.8 123.54 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.834 0.853 . . . . 74.400000000000006 110.223 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 61.75 35.66 16.67 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.313 1.045 . . . . 74.409999999999997 111.796 174.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.43 -27.26 4.73 Favored Glycine 0 CA--C 1.534 1.272 0 CA-C-N 115.885 -0.598 . . . . 73.209999999999994 114.541 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -96.52 174.7 6.71 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.653 0.739 . . . . 74.25 112.251 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 62.4 mt -77.71 138.83 19.65 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.154 0 CA-C-N 115.434 -0.803 . . . . 64.409999999999997 111.104 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' PHE . . . . . 0.459 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 86.3 t80 -116.76 135.25 53.91 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.341 1.056 . . . . 75.439999999999998 108.873 171.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 48.7 t -131.05 113.01 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 123.321 0.649 . . . . 74.040000000000006 109.855 -177.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.688 ' HA ' ' HA3' ' B' ' 24' ' ' GLY . 15.6 pttp -110.73 169.16 8.94 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 109.314 -0.624 . . . . 74.0 109.314 174.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.403 HD22 HG11 ' B' ' 55' ' ' VAL . 48.1 mt -88.06 150.68 23.25 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 118.488 0.586 . . . . 73.239999999999995 111.383 176.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 86.8 t -75.21 -36.81 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 109.125 -0.695 . . . . 73.519999999999996 109.125 166.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 64.0 mt -89.64 77.22 7.2 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.306 0.642 . . . . 73.120000000000005 110.286 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -78.93 152.16 31.26 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.971 0.508 . . . . 73.120000000000005 110.548 176.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.413 ' NE2' ' H ' ' B' ' 21' ' ' GLY . 59.7 m-70 -82.93 -179.25 7.39 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 113.423 0.897 . . . . 65.340000000000003 113.423 -168.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -108.61 102.44 11.51 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.783 0.833 . . . . 75.329999999999998 110.173 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -73.74 103.36 4.27 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.061 0.544 . . . . 73.129999999999995 111.769 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -73.01 -36.91 67.11 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.823 0.849 . . . . 72.310000000000002 110.538 173.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -145.4 133.23 21.18 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.009 0.924 . . . . 75.340000000000003 110.741 175.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 . . . . . 0 CA--C 1.549 0.923 0 C-N-CA 123.967 0.907 . . . . 65.519999999999996 110.567 177.658 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.7 tpp . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 121.1 0.476 . . . . 74.109999999999999 110.854 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.36 31.35 11.78 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 115.007 1.484 . . . . 75.219999999999999 115.007 170.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 94.6 mmm -74.67 154.7 38.35 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.878 -0.514 . . . . 74.5 111.656 174.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.0 tp -60.88 -31.9 71.36 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.808 0.843 . . . . 72.129999999999995 112.249 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -73.7 -45.3 53.1 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 123.269 0.628 . . . . 73.349999999999994 111.515 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.76 -32.07 59.79 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 112.297 0.48 . . . . 73.319999999999993 112.297 -174.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -28.32 68.48 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 120.739 0.304 . . . . 75.430000000000007 110.75 175.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.74 -40.64 93.15 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.353 0.661 . . . . 71.129999999999995 110.739 170.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.84 -35.76 65.81 Favored Glycine 0 CA--C 1.543 1.792 0 CA-C-N 115.908 -0.587 . . . . 74.409999999999997 114.118 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.2 -46.09 88.65 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.258 0.623 . . . . 75.140000000000001 111.608 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 41' ' ' ASP . 70.5 mt -72.58 -31.69 65.41 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.644 0.778 . . . . 72.450000000000003 111.116 177.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.12 -44.88 75.41 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.146 0.979 . . . . 74.400000000000006 112.315 176.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.6 -49.0 67.41 Favored Glycine 0 CA--C 1.535 1.334 0 CA-C-N 115.372 -0.831 . . . . 54.149999999999999 113.401 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.469 HE21 ' HA ' ' A' ' 11' ' ' LEU . 44.7 mt-30 -62.34 -43.93 97.67 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.969 0.908 . . . . 73.109999999999999 112.208 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.522 HG22 HG22 ' A' ' 30' ' ' ILE . 86.3 mt -64.36 -42.79 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 123.583 0.753 . . . . 74.200000000000003 111.318 178.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -58.73 -44.78 90.54 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 123.802 0.841 . . . . 73.150000000000006 110.917 175.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.68 -30.26 69.75 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.88 0.872 . . . . 73.430000000000007 112.637 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.0 79.72 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 121.272 0.558 . . . . 64.239999999999995 110.751 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.461 HD23 HG11 ' A' ' 66' ' ' VAL . 6.1 mp -81.94 -20.64 38.23 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.213 1.005 . . . . 74.319999999999993 111.921 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -67.02 120.71 14.1 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 122.966 0.506 . . . . 75.25 111.448 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.46 16.07 79.95 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 115.946 -0.57 . . . . 64.319999999999993 114.282 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.1 p -122.55 169.17 11.28 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.189 0.596 . . . . 72.219999999999999 111.238 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -87.73 10.5 18.09 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.398 0.679 . . . . 74.040000000000006 112.38 172.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.473 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 104.36 152.56 22.29 Favored Glycine 0 C--N 1.346 1.139 0 N-CA-C 114.662 0.625 . . . . 45.009999999999998 114.662 175.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.431 HD12 HD13 ' A' ' 19' ' ' LEU . 5.5 mp -129.08 153.01 48.06 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 124.156 0.982 . . . . 63.439999999999998 109.595 -178.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.9 p -87.74 172.91 9.32 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.323 0.649 . . . . 64.439999999999998 110.394 174.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -59.58 -34.82 73.19 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 112.332 0.493 . . . . 62.109999999999999 112.332 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -62.95 -46.48 87.57 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.665 0.786 . . . . 73.430000000000007 112.255 172.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.41 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 52.4 mt-30 -66.26 -47.86 72.35 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.304 0.642 . . . . 74.409999999999997 112.421 -177.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.522 HG22 HG22 ' A' ' 15' ' ' ILE . 57.5 mt -69.75 -44.92 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 123.331 0.652 . . . . 74.239999999999995 111.841 -176.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -53.18 -42.53 66.32 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.894 0.877 . . . . 73.319999999999993 111.544 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -70.15 -45.78 66.08 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 123.857 0.863 . . . . 75.409999999999997 111.57 173.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.18 -22.94 63.88 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 113.355 0.872 . . . . 74.010000000000005 113.355 -174.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.6 p -107.81 -7.04 16.43 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 124.075 0.95 . . . . 72.340000000000003 111.433 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt 66.66 29.19 8.89 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.902 1.281 . . . . 75.25 111.798 176.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.02 119.06 10.72 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.906 0.482 . . . . 73.129999999999995 111.588 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -55.4 -37.66 67.89 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.655 1.182 . . . . 73.340000000000003 112.224 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -133.49 147.68 51.66 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.757 0.823 . . . . 71.439999999999998 110.849 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.5 -24.2 66.43 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 115.17 -0.923 . . . . 70.349999999999994 111.645 170.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -60.36 -35.29 75.35 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.903 0.881 . . . . 73.530000000000001 112.201 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.539 ' HB3' HD12 ' A' ' 11' ' ' LEU . 25.3 m-20 -66.25 -38.14 87.16 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.714 0.806 . . . . 74.239999999999995 110.632 173.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -67.87 -42.02 81.93 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 114.971 -1.013 . . . . 75.120000000000005 112.693 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -63.47 -39.53 94.71 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 122.886 0.475 . . . . 74.140000000000001 112.141 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -71.36 -35.83 71.28 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.392 0.677 . . . . 73.129999999999995 111.038 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.49 -59.52 8.71 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 116.194 -0.457 . . . . 73.5 113.428 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -29.31 70.19 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.0 0.52 . . . . 74.340000000000003 110.413 177.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.79 -29.98 71.64 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-N 116.046 -0.525 . . . . 75.019999999999996 112.517 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.596 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 10.8 t-105 -72.79 -41.58 64.83 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 122.595 0.358 . . . . 74.439999999999998 110.548 171.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.655 HD23 HG12 ' A' ' 55' ' ' VAL . 6.1 mp -56.25 -30.1 61.95 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 123.941 0.896 . . . . 61.109999999999999 112.435 176.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.0 mt -67.0 -39.52 87.13 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.692 0.797 . . . . 73.120000000000005 112.448 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.596 ' HE ' ' HA ' ' A' ' 48' ' ' TRP . 15.3 ptp180 -73.92 -25.92 60.24 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 121.014 0.435 . . . . 73.519999999999996 110.793 178.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -78.69 -27.9 45.12 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.415 0.686 . . . . 74.099999999999994 110.318 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 56.05 27.71 11.76 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.885 1.274 . . . . 72.239999999999995 112.205 -174.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -85.91 -1.25 57.11 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 115.733 -0.667 . . . . 74.519999999999996 110.979 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.655 HG12 HD23 ' A' ' 49' ' ' LEU . 28.0 m -128.09 152.69 36.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 123.786 0.835 . . . . 63.420000000000002 111.933 176.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 p -114.1 127.43 71.52 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 124.27 1.028 . . . . 74.209999999999994 109.669 167.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.603 ' HB ' HD11 ' B' ' 4' ' ' LEU . 52.2 p -105.95 133.25 50.96 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.959 0.904 . . . . 74.150000000000006 110.92 -174.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.426 ' HA ' ' HE1' ' B' ' 3' ' ' MET . 38.6 t -122.33 143.42 49.65 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.963 0.905 . . . . 74.209999999999994 110.194 174.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -95.14 104.05 15.92 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 109.342 -0.614 . . . . 75.25 109.342 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.3 t -111.08 108.28 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 123.457 0.703 . . . . 74.230000000000004 110.21 -177.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 57.98 38.92 26.88 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.889 1.276 . . . . 72.439999999999998 112.863 171.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.35 -1.92 86.2 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 114.782 0.673 . . . . 72.340000000000003 114.782 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -114.59 160.34 19.39 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.554 0.742 . . . . 73.239999999999995 112.005 -177.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.405 HG23 HD13 ' B' ' 4' ' ' LEU . 63.0 mt -82.82 113.62 22.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 115.185 -0.916 . . . . 74.200000000000003 111.561 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.402 ' HD2' ' HB3' ' A' ' 58' ' ' SER . 73.8 t80 -106.27 128.58 54.08 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 107.584 -1.265 . . . . 74.420000000000002 107.584 165.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.461 HG11 HD23 ' A' ' 19' ' ' LEU . 7.1 p -139.68 143.23 30.96 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-O 120.866 0.365 . . . . 74.329999999999998 111.164 -177.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.473 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 21.4 ptmt -143.05 167.45 22.04 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.652 0.781 . . . . 75.329999999999998 109.626 174.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.431 HD23 HG11 ' A' ' 55' ' ' VAL . 24.6 mt -68.6 149.27 49.36 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 118.421 0.555 . . . . 72.409999999999997 111.172 173.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.3 t -65.72 108.12 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 109.42 -0.585 . . . . 73.340000000000003 109.42 170.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.9 mt -74.47 85.71 2.03 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 109.172 -0.677 . . . . 75.129999999999995 109.172 175.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -61.42 -40.53 94.75 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.844 0.858 . . . . 72.239999999999995 111.173 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -91.26 110.54 21.83 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 114.926 -1.033 . . . . 73.200000000000003 109.355 -177.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -105.2 62.53 0.69 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.682 0.793 . . . . 74.230000000000004 111.014 -176.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -85.46 97.25 9.92 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.167 0.587 . . . . 64.430000000000007 110.862 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -115.55 118.36 32.92 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.191 0.997 . . . . 75.010000000000005 109.761 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -64.96 -33.85 77.03 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 123.583 0.753 . . . . 73.299999999999997 112.932 -172.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 . . . . . 0 N--CA 1.485 1.308 0 C-N-CA 123.113 0.565 . . . . 75.239999999999995 111.743 178.801 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 36.3 mmt . . . . . 0 CA--C 1.547 0.832 0 CA-C-O 120.837 0.351 . . . . 75.430000000000007 110.936 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -79.15 141.48 37.22 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.569 0.348 . . . . 75.239999999999995 111.177 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.426 ' HE1' ' HA ' ' A' ' 58' ' ' SER . 1.7 tpt -134.58 171.65 14.03 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 112.601 0.593 . . . . 61.450000000000003 112.601 -167.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.603 HD11 ' HB ' ' A' ' 57' ' ' THR . 96.7 mt -61.79 -42.73 99.37 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.39 1.076 . . . . 74.340000000000003 112.602 177.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -68.87 -39.75 79.67 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.292 -0.413 . . . . 74.430000000000007 111.77 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -67.13 -43.03 83.41 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 116.339 -0.392 . . . . 75.340000000000003 112.019 -176.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -39.36 94.24 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.306 0.243 . . . . 74.040000000000006 110.98 178.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.55 -34.72 77.5 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.613 0.765 . . . . 71.439999999999998 110.906 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.36 -35.72 59.91 Favored Glycine 0 CA--C 1.539 1.531 0 CA-C-N 115.394 -0.821 . . . . 75.540000000000006 113.463 175.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.43 -43.22 86.27 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.783 0.833 . . . . 74.209999999999994 111.566 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.536 ' HA ' HE21 ' B' ' 14' ' ' GLN . 59.2 mt -68.81 -35.69 77.31 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.907 0.883 . . . . 75.530000000000001 110.669 175.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.428 ' HB3' ' HB3' ' B' ' 48' ' ' TRP . . . -55.98 -52.09 65.41 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.41 1.084 . . . . 74.519999999999996 112.799 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.78 -40.91 73.54 Favored Glycine 0 CA--C 1.532 1.131 0 O-C-N 123.834 0.709 . . . . 73.209999999999994 113.851 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.536 HE21 ' HA ' ' B' ' 11' ' ' LEU . 32.5 mt-30 -65.01 -48.33 74.3 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.176 0.591 . . . . 73.549999999999997 110.922 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.505 HG21 HG22 ' B' ' 30' ' ' ILE . 66.4 mt -62.89 -42.76 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.904 0.881 . . . . 72.510000000000005 111.843 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . 0.417 ' HE1' ' HB3' ' B' ' 54' ' ' LYS . 79.7 t90 -66.0 -43.07 88.84 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.357 0.663 . . . . 74.510000000000005 111.329 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -61.09 -34.28 74.68 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.195 0.598 . . . . 63.450000000000003 112.195 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.01 -37.83 88.87 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.002 0.521 . . . . 73.140000000000001 111.373 173.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.605 HD21 HD11 ' B' ' 30' ' ' ILE . 95.5 mt -79.45 -24.99 42.05 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.941 0.896 . . . . 74.319999999999993 112.233 179.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.43 ' HA ' HD11 ' B' ' 68' ' ' LEU . 63.9 t30 -68.66 132.78 47.46 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.58 0.752 . . . . 74.129999999999995 111.449 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.15 5.85 87.37 Favored Glycine 0 CA--C 1.542 1.756 0 CA-C-N 116.205 -0.452 . . . . 72.430000000000007 113.699 -176.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.2 m -126.9 158.61 36.3 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.788 0.835 . . . . 75.219999999999999 110.888 -173.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -72.57 -11.43 60.65 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.928 0.891 . . . . 75.430000000000007 112.807 177.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.98 150.14 7.58 Favored Glycine 0 N--CA 1.475 1.243 0 C-N-CA 123.428 0.537 . . . . 71.450000000000003 112.87 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.6 mp -126.72 157.98 37.65 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.735 0.814 . . . . 72.450000000000003 110.156 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 34.3 p -81.14 172.46 13.64 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 116.298 -0.41 . . . . 72.239999999999995 110.466 171.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -57.93 -47.96 81.34 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.054 0.542 . . . . 74.340000000000003 110.649 175.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.94 -46.88 78.38 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.447 1.099 . . . . 73.439999999999998 111.918 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -63.93 -40.86 97.43 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.239 0.616 . . . . 74.409999999999997 111.845 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.605 HD11 HD21 ' B' ' 19' ' ' LEU . 69.6 mt -70.44 -42.49 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.004 0.522 . . . . 71.439999999999998 111.7 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -55.77 -39.93 71.92 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 123.336 0.655 . . . . 74.409999999999997 111.197 176.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -49.36 48.55 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-N 115.12 -0.946 . . . . 74.340000000000003 110.816 176.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.69 89.75 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 123.826 0.85 . . . . 73.400000000000006 112.675 -176.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 50.6 p -90.37 -12.15 38.44 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.682 1.193 . . . . 74.420000000000002 112.121 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.05 34.69 4.97 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.205 1.002 . . . . 74.439999999999998 112.195 176.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 92.5 mt -80.61 138.3 36.43 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 109.263 -0.643 . . . . 75.0 109.263 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -85.51 -52.29 5.94 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.054 0.454 . . . . 73.420000000000002 111.215 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -95.17 141.71 28.46 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.515 0.726 . . . . 72.200000000000003 111.055 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -58.97 -27.26 65.21 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.78 0.832 . . . . 74.109999999999999 111.44 171.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -52.33 -40.91 62.52 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.898 1.279 . . . . 71.349999999999994 112.288 172.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -63.48 -37.7 88.3 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.162 0.585 . . . . 74.019999999999996 110.944 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -66.72 -46.16 76.39 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.068 -0.969 . . . . 74.209999999999994 111.72 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -69.82 -35.97 75.24 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 112.649 0.611 . . . . 72.099999999999994 112.649 -175.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp -72.69 -40.4 66.25 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.095 0.558 . . . . 73.340000000000003 111.279 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . 0.405 ' O ' HD11 ' B' ' 49' ' ' LEU . . . -66.64 -55.97 15.23 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 116.26 -0.427 . . . . 74.540000000000006 112.872 175.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.574 HD13 HG23 ' B' ' 66' ' ' VAL . 57.6 tp -58.32 -35.92 72.59 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.159 0.984 . . . . 62.340000000000003 112.198 176.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.91 -32.1 83.05 Favored Glycine 0 N--CA 1.474 1.23 0 CA-C-N 115.871 -0.604 . . . . 70.299999999999997 112.257 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' TRP . . . . . 0.539 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 27.6 t-105 -75.43 -34.25 60.97 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.301 0.641 . . . . 63.5 110.535 173.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.641 HD21 HG12 ' B' ' 55' ' ' VAL . 6.6 mp -61.38 -32.81 72.74 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.9 -0.5 . . . . 74.420000000000002 111.43 172.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.56 -39.4 77.43 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.551 0.74 . . . . 72.230000000000004 111.723 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' B' ' 48' ' ' TRP . 0.0 OUTLIER -74.44 -24.45 59.07 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-N 117.865 0.302 . . . . 72.340000000000003 111.319 177.497 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -80.29 -18.15 50.11 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.47 0.708 . . . . 70.519999999999996 110.663 171.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.91 17.27 10.77 Favored 'General case' 0 CA--C 1.56 1.327 0 C-N-CA 125.195 1.398 . . . . 73.420000000000002 111.63 176.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.417 ' HB3' ' HE1' ' B' ' 16' ' ' TRP . 9.9 mtmp? -85.65 -5.85 59.22 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.929 0.892 . . . . 74.450000000000003 113.135 -175.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.641 HG12 HD21 ' B' ' 49' ' ' LEU . 22.8 m -134.68 163.91 35.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.495 0.664 . . . . 71.319999999999993 112.761 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 p -135.27 133.64 52.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 124.786 1.234 . . . . 71.150000000000006 109.71 174.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 68.4 p -105.11 133.73 49.4 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.726 0.811 . . . . 74.400000000000006 110.521 -173.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 92.5 p -126.97 159.81 32.94 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.878 0.871 . . . . 71.209999999999994 110.577 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -98.4 105.0 17.09 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.463 0.705 . . . . 73.430000000000007 110.805 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.5 t -114.79 109.69 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.188 0.595 . . . . 74.209999999999994 110.713 172.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 58.85 35.69 24.34 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.863 1.265 . . . . 75.549999999999997 113.88 168.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.95 10.45 83.97 Favored Glycine 0 CA--C 1.54 1.63 0 N-CA-C 113.841 0.297 . . . . 64.439999999999998 113.841 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -125.75 153.52 43.84 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.384 1.074 . . . . 73.430000000000007 111.388 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 61.2 mt -78.16 113.84 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 123.11 0.564 . . . . 64.310000000000002 110.369 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -111.43 110.6 21.13 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.375 -0.972 . . . . 72.329999999999998 108.375 172.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.574 HG23 HD13 ' B' ' 46' ' ' LEU . 7.5 p -116.16 149.21 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 122.931 0.492 . . . . 74.25 110.872 -176.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -146.07 166.53 25.84 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.06 0.944 . . . . 75.129999999999995 109.743 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.43 HD11 ' HA ' ' B' ' 20' ' ' ASN . 45.4 mt -76.17 155.3 34.69 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 122.17 -0.331 . . . . 72.329999999999998 111.426 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 26.2 t -83.98 69.33 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 CA-C-O 122.265 1.031 . . . . 74.430000000000007 110.548 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 10.0 mp -111.31 -14.53 13.78 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 114.77 -1.105 . . . . 61.219999999999999 109.367 166.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.48 98.92 2.87 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.24 0.616 . . . . 72.439999999999998 110.964 177.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -130.21 7.31 5.01 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.91 0.884 . . . . 74.409999999999997 110.552 174.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -83.07 -37.48 23.8 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.686 0.794 . . . . 74.310000000000002 109.835 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -87.76 54.79 3.23 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 124.001 0.921 . . . . 71.450000000000003 110.195 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -103.16 25.18 9.78 Favored 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 124.559 1.144 . . . . 73.319999999999993 111.339 -173.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -57.92 -35.71 71.46 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.496 0.718 . . . . 74.230000000000004 111.717 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 77.0 t60 . . . . . 0 N--CA 1.482 1.128 0 C-N-CA 123.782 0.833 . . . . 74.219999999999999 110.809 175.58 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 111.546 0.202 . . . . 71.430000000000007 111.546 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -80.14 130.32 35.14 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.171 0.588 . . . . 75.019999999999996 111.581 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 95.1 mmm -74.69 165.96 24.37 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.489 0.716 . . . . 73.439999999999998 111.756 175.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' B' ' 59' ' ' GLU . 0.3 OUTLIER -58.73 -22.59 58.04 Favored 'General case' 0 CA--C 1.566 1.559 0 N-CA-C 113.385 0.883 . . . . 75.109999999999999 113.385 173.548 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -75.73 -37.94 58.93 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.131 0.572 . . . . 73.040000000000006 110.37 176.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -63.42 -42.53 98.72 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.784 0.802 . . . . 74.010000000000005 109.961 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -59.15 -47.95 83.42 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 114.22 -1.354 . . . . 74.439999999999998 111.753 172.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.03 -34.15 71.58 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.862 0.865 . . . . 73.230000000000004 111.777 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.64 -33.99 63.26 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-N 114.985 -1.007 . . . . 72.099999999999994 113.217 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.93 -45.42 67.55 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.519 0.727 . . . . 71.140000000000001 111.192 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -61.56 -31.08 71.1 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 124.081 0.952 . . . . 73.329999999999998 111.455 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.403 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -56.04 -45.2 79.26 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.448 0.907 . . . . 63.439999999999998 113.448 177.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.18 -52.89 46.49 Favored Glycine 0 CA--C 1.535 1.309 0 O-C-N 123.686 0.616 . . . . 61.020000000000003 114.242 -175.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -67.35 -37.69 83.64 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 123.407 0.683 . . . . 73.409999999999997 112.253 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.655 HD13 ' HA3' ' A' ' 45' ' ' GLY . 61.9 mt -65.94 -41.96 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 123.172 0.589 . . . . 75.120000000000005 111.308 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -62.28 -46.15 90.06 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.258 0.623 . . . . 75.409999999999997 111.109 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.28 -26.79 68.24 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.444 0.698 . . . . 75.310000000000002 112.381 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.95 -37.65 81.84 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.218 0.607 . . . . 63.539999999999999 110.903 173.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.5 mt -79.55 -24.55 42.06 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.245 1.018 . . . . 63.530000000000001 112.413 175.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.437 ' HA ' HD13 ' A' ' 68' ' ' LEU . 25.1 t-20 -71.12 121.13 17.73 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.189 0.596 . . . . 74.010000000000005 111.819 -172.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.86 -2.85 44.97 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-N 115.905 -0.589 . . . . 71.219999999999999 114.343 -175.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.417 ' HA ' ' HE1' ' A' ' 76' ' ' HIS . 59.0 p -125.95 176.17 7.18 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 117.88 0.84 . . . . 75.129999999999995 111.518 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.545 ' HG2' ' HE2' ' A' ' 76' ' ' HIS . 17.4 mm-40 -81.33 -1.64 46.11 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.627 0.771 . . . . 73.439999999999998 112.043 175.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.32 152.65 8.68 Favored Glycine 0 C--N 1.346 1.086 0 C-N-CA 123.161 0.41 . . . . 73.230000000000004 112.51 -173.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.511 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 98.3 mt -129.91 160.92 32.09 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.629 0.772 . . . . 73.209999999999994 111.076 -177.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.3 p -80.98 164.65 22.39 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.587 0.755 . . . . 73.430000000000007 110.805 170.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -60.78 -28.28 68.63 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 122.7 0.4 . . . . 75.129999999999995 111.817 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -56.11 -53.79 52.8 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.751 0.821 . . . . 74.409999999999997 112.024 168.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.511 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 15.5 mm-40 -72.83 -39.74 66.35 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.718 0.807 . . . . 64.129999999999995 112.297 -173.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.5 -52.94 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.436 0.694 . . . . 75.340000000000003 110.97 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.492 ' HG3' ' HB2' ' A' ' 36' ' ' LEU . 3.5 ttpm? -61.51 -35.05 76.6 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.651 0.78 . . . . 74.340000000000003 111.752 -177.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -67.55 -48.84 65.79 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 123.425 0.69 . . . . 75.140000000000001 111.608 175.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.35 99.03 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.414 0.686 . . . . 54.409999999999997 111.786 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.437 ' OG1' ' HG ' ' A' ' 36' ' ' LEU . 76.9 p -85.2 -9.06 58.25 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.403 1.081 . . . . 71.540000000000006 112.614 -177.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt 68.6 23.79 7.12 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.495 1.118 . . . . 73.5 112.007 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.492 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 79.1 mt -69.94 152.14 44.82 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.03 0.532 . . . . 75.150000000000006 110.474 178.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.458 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -96.39 -29.65 13.83 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.277 0.631 . . . . 74.329999999999998 111.429 -167.743 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.15 167.6 21.8 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.885 0.874 . . . . 64.310000000000002 111.674 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -61.93 -29.13 70.01 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.701 1.2 . . . . 72.239999999999995 111.438 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -43.57 76.97 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.561 1.145 . . . . 75.109999999999999 112.505 176.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -64.31 -39.32 93.68 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.602 0.715 . . . . 74.430000000000007 110.706 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -63.55 -43.52 96.82 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 114.353 -1.294 . . . . 74.239999999999995 112.011 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -64.38 -40.15 95.27 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 112.587 0.588 . . . . 73.319999999999993 112.587 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.05 -46.57 88.58 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.538 0.735 . . . . 71.140000000000001 111.671 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.655 ' HA3' HD13 ' A' ' 15' ' ' ILE . . . -69.88 -47.6 46.29 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-N 116.198 -0.455 . . . . 42.130000000000003 113.367 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.22 -36.79 78.49 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.856 0.862 . . . . 70.409999999999997 112.1 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.98 -30.9 74.6 Favored Glycine 0 N--CA 1.476 1.302 0 CA-C-N 115.576 -0.738 . . . . 64.430000000000007 112.542 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.571 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 8.7 t-105 -77.7 -35.43 52.12 Favored 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 123.435 0.694 . . . . 74.400000000000006 111.555 177.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.518 HD23 HG12 ' A' ' 55' ' ' VAL . 6.6 mp -61.91 -37.19 83.7 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.188 0.595 . . . . 73.329999999999998 111.036 173.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.9 mt -64.89 -49.33 70.91 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.844 0.858 . . . . 71.340000000000003 112.291 175.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.571 ' HG2' ' HA ' ' A' ' 48' ' ' TRP . 15.4 ptm180 -63.99 -34.78 78.76 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 113.221 0.822 . . . . 64.540000000000006 113.221 -174.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.66 6.79 47.13 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 112.162 0.43 . . . . 73.230000000000004 112.162 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.45 31.08 15.19 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.856 0.862 . . . . 70.310000000000002 111.664 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -88.67 -14.84 36.4 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.973 0.909 . . . . 65.530000000000001 111.899 -173.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.518 HG12 HD23 ' A' ' 49' ' ' LEU . 27.5 m -132.52 174.52 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 112.723 0.638 . . . . 75.340000000000003 112.723 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.3 p -131.36 128.95 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.852 0.861 . . . . 74.549999999999997 109.091 160.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.9 p -102.59 148.08 25.99 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.601 0.715 . . . . 73.140000000000001 111.534 -174.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.6 t -146.84 171.34 15.34 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.531 -1.213 . . . . 74.519999999999996 108.953 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.34 122.1 34.45 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.947 0.499 . . . . 65.219999999999999 109.926 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.5 t -115.04 111.45 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.516 1.126 . . . . 63.020000000000003 110.777 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 50.92 43.49 28.64 Favored 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 125.638 1.575 . . . . 73.120000000000005 114.892 169.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.4 -7.63 61.91 Favored Glycine 0 N--CA 1.479 1.563 0 N-CA-C 114.971 0.748 . . . . 71.200000000000003 114.971 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -127.24 162.74 25.5 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 117.715 0.758 . . . . 71.439999999999998 111.547 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.2 mt -82.9 131.27 34.13 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 C-N-CA 123.532 0.733 . . . . 74.329999999999998 111.335 -176.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -119.71 111.29 17.84 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.507 1.123 . . . . 75.409999999999997 108.583 174.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.1 t -103.74 138.08 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.072 0.549 . . . . 73.319999999999993 110.669 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -121.43 168.78 11.3 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.153 0.981 . . . . 72.420000000000002 109.24 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 20' ' ' ASN . 45.8 mt -88.9 -177.87 5.59 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 118.183 0.447 . . . . 61.130000000000003 110.377 167.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.0 t -83.89 36.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 CA-C-O 121.948 0.88 . . . . 72.340000000000003 111.567 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.8 mt 55.11 28.72 11.34 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 124.896 1.278 . . . . 74.409999999999997 113.251 174.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.24 132.15 53.16 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.696 0.798 . . . . 72.510000000000005 110.571 -175.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -87.99 -4.69 58.78 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 113.919 1.081 . . . . 75.209999999999994 113.919 -162.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -71.96 104.63 3.58 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-N 118.3 0.5 . . . . 74.319999999999993 111.086 -179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 61.95 24.6 14.67 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.695 1.198 . . . . 75.239999999999995 112.363 -177.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -75.3 110.43 9.63 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.622 0.769 . . . . 74.040000000000006 109.471 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.545 ' HE2' ' HG2' ' A' ' 23' ' ' GLU . 10.9 p-80 -62.09 155.41 24.23 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 112.805 0.668 . . . . 74.030000000000001 112.805 -179.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 45.7 t60 . . . . . 0 N--CA 1.484 1.274 0 C-N-CA 124.074 0.95 . . . . 73.549999999999997 111.778 -176.364 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 CA--C 1.556 1.175 0 CA-C-O 120.65 0.262 . . . . 74.140000000000001 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt 56.18 39.74 30.23 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.767 1.227 . . . . 75.230000000000004 111.891 173.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 24.1 mmt -66.82 161.66 23.31 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.626 0.77 . . . . 63.539999999999999 113.045 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.74 -22.84 67.11 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 115.193 -0.912 . . . . 74.439999999999998 110.855 171.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -71.57 -44.68 64.07 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.526 0.73 . . . . 72.409999999999997 111.471 171.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -65.83 -42.9 89.99 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.149 0.58 . . . . 71.400000000000006 111.656 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -27.17 62.34 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 122.269 0.227 . . . . 71.150000000000006 111.465 175.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.9 -50.51 68.47 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 123.128 0.571 . . . . 74.5 111.342 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.38 -32.22 78.88 Favored Glycine 0 CA--C 1.535 1.328 0 CA-C-N 115.635 -0.712 . . . . 72.409999999999997 113.725 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.18 -49.2 72.96 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.262 0.625 . . . . 75.420000000000002 111.015 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.471 ' O ' HG12 ' B' ' 15' ' ' ILE . 94.2 mt -63.13 -34.57 77.91 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.576 0.75 . . . . 74.430000000000007 111.451 176.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.19 -31.44 52.9 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.393 0.677 . . . . 64.310000000000002 112.628 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.09 -53.68 42.92 Favored Glycine 0 CA--C 1.54 1.635 0 CA-C-N 116.034 -0.53 . . . . 70.439999999999998 113.48 172.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -74.59 -31.12 61.95 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 112.604 0.594 . . . . 72.109999999999999 112.604 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.471 HG12 ' O ' ' B' ' 11' ' ' LEU . 41.9 mm -65.6 -43.69 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 C-N-CA 123.244 0.618 . . . . 72.129999999999995 109.887 175.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -62.92 -45.12 93.98 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 115.514 -0.767 . . . . 72.010000000000005 110.978 173.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -63.69 -29.08 70.35 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.212 0.605 . . . . 62.020000000000003 112.541 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.53 -41.18 93.39 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 122.914 0.486 . . . . 63.229999999999997 110.667 172.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.595 HD21 HG22 ' B' ' 66' ' ' VAL . 92.3 mt -79.68 -15.37 57.69 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.637 0.775 . . . . 73.530000000000001 112.561 175.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.486 ' HA ' HD11 ' B' ' 68' ' ' LEU . 50.4 t30 -71.02 123.95 23.26 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.972 0.509 . . . . 74.400000000000006 110.346 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.03 -2.1 75.12 Favored Glycine 0 CA--C 1.538 1.493 0 CA-C-N 115.963 -0.562 . . . . 71.129999999999995 113.596 -174.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 18.5 p -121.11 162.72 19.57 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 117.515 0.657 . . . . 72.519999999999996 110.629 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -105.15 10.86 33.69 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.004 0.522 . . . . 75.540000000000006 111.164 175.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.488 ' HA2' ' HB3' ' B' ' 67' ' ' LYS . . . 156.47 128.43 1.08 Allowed Glycine 0 C--N 1.352 1.441 0 N-CA-C 114.295 0.478 . . . . 74.120000000000005 114.295 178.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 95.8 mt -132.72 161.41 34.08 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.424 1.09 . . . . 74.25 109.611 170.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 23.1 p -84.57 171.05 12.79 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 120.744 0.307 . . . . 71.409999999999997 110.255 166.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -56.79 -36.6 70.07 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.185 0.594 . . . . 74.310000000000002 112.131 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' B' ' 32' ' ' LYS . 88.1 mttt -67.56 -45.67 74.95 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.49 1.116 . . . . 71.400000000000006 112.112 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.76 -35.82 81.06 Favored 'General case' 0 N--CA 1.497 1.884 0 C-N-CA 123.054 0.542 . . . . 75.120000000000005 111.948 176.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 28.3 mt -66.0 -44.58 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 122.932 0.493 . . . . 72.439999999999998 111.343 173.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -59.34 -27.96 66.39 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 122.947 0.499 . . . . 74.540000000000006 112.164 177.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' B' ' 28' ' ' LYS . 14.1 mmmm -70.73 -47.16 61.15 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 122.767 0.427 . . . . 74.150000000000006 111.526 174.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.29 -30.32 67.31 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.341 0.656 . . . . 73.120000000000005 112.501 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 81.4 p -94.99 -21.94 18.27 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.101 0.96 . . . . 75.109999999999999 112.251 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 66.78 28.25 8.96 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 124.878 1.271 . . . . 74.310000000000002 112.034 -176.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 78.1 mt -72.63 128.39 35.41 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 116.08 -0.509 . . . . 72.099999999999994 109.781 172.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -80.0 -45.33 18.61 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.593 0.757 . . . . 75.099999999999994 110.002 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.89 142.37 28.96 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 115.228 -0.896 . . . . 64.010000000000005 111.829 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -69.29 -24.95 64.02 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.188 0.995 . . . . 75.120000000000005 110.817 170.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -52.91 -41.61 64.58 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.179 1.392 . . . . 74.340000000000003 112.643 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.31 -37.79 77.95 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.316 0.646 . . . . 75.140000000000001 111.057 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -60.27 -48.33 82.18 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 115.976 -0.556 . . . . 73.019999999999996 111.791 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -59.05 -35.41 73.28 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.174 0.59 . . . . 73.519999999999996 112.559 -175.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -73.02 -37.1 67.05 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.407 0.683 . . . . 75.040000000000006 111.546 176.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . 0.447 ' O ' HD11 ' B' ' 49' ' ' LEU . . . -66.4 -54.8 21.28 Favored Glycine 0 CA--C 1.539 1.54 0 CA-C-N 116.59 -0.277 . . . . 70.200000000000003 112.743 175.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 68.6 tp -59.15 -35.34 73.35 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.418 1.087 . . . . 70.239999999999995 112.266 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.31 -33.56 84.94 Favored Glycine 0 N--CA 1.477 1.368 0 CA-C-O 121.45 0.472 . . . . 75.420000000000002 112.498 178.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' TRP . . . . . 0.505 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 9.7 t-105 -77.85 -31.89 51.74 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.398 0.679 . . . . 64.140000000000001 111.233 176.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.582 ' HB3' HG23 ' B' ' 55' ' ' VAL . 7.3 mp -62.34 -37.54 86.04 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.104 0.562 . . . . 63.049999999999997 111.469 172.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 94.2 mt -71.29 -35.6 71.37 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.485 0.714 . . . . 72.329999999999998 112.298 175.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' B' ' 48' ' ' TRP . 0.0 OUTLIER -68.94 -36.37 77.87 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 112.241 0.46 . . . . 74.010000000000005 112.241 -176.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.56 ' HB2' ' HG3' ' B' ' 54' ' ' LYS . 48.8 mt-10 -87.03 -19.23 28.96 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.722 0.409 . . . . 73.140000000000001 111.346 176.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 60.97 50.04 5.4 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 122.483 1.135 . . . . 75.109999999999999 111.071 -168.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.56 ' HG3' ' HB2' ' B' ' 52' ' ' GLU . 23.7 mtpp -76.83 -29.45 55.94 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 113.773 -1.558 . . . . 73.239999999999995 109.528 172.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.582 HG23 ' HB3' ' B' ' 49' ' ' LEU . 17.1 m -132.63 166.9 27.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 CA-C-N 115.201 -0.909 . . . . 73.349999999999994 111.526 -175.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.27 135.93 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.158 1.383 . . . . 55.109999999999999 108.886 167.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' THR . . . . . 0.438 ' HB ' HG13 ' B' ' 66' ' ' VAL . 2.5 t -127.74 152.51 47.66 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.576 0.703 . . . . 74.420000000000002 110.749 -176.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 71.0 m -120.83 139.74 52.73 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 114.693 -1.14 . . . . 65.230000000000004 109.939 -172.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.443 ' HB2' HD21 ' A' ' 4' ' ' LEU . 40.0 tt0 -96.78 101.3 12.87 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 107.648 -1.241 . . . . 74.349999999999994 107.648 177.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 72.3 t -123.65 109.2 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.915 0.886 . . . . 72.049999999999997 110.11 -169.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 53.89 30.89 12.28 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 125.129 1.371 . . . . 75.420000000000002 112.899 176.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.68 -21.4 41.44 Favored Glycine 0 CA--C 1.543 1.844 0 N-CA-C 114.631 0.612 . . . . 74.140000000000001 114.631 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -86.31 141.87 28.92 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.754 0.821 . . . . 73.200000000000003 111.84 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 49.0 mt -85.85 105.1 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.222 0 C-N-CA 123.57 0.748 . . . . 74.409999999999997 110.612 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -105.36 101.94 11.45 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.463 0.705 . . . . 75.450000000000003 110.366 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.595 HG22 HD21 ' B' ' 19' ' ' LEU . 33.8 m -99.53 150.29 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 123.969 0.907 . . . . 73.430000000000007 111.941 -172.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.488 ' HB3' ' HA2' ' B' ' 24' ' ' GLY . 19.3 pttm -158.21 160.43 37.15 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 123.419 0.688 . . . . 71.129999999999995 109.752 177.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.486 HD11 ' HA ' ' B' ' 20' ' ' ASN . 45.2 mt -65.62 160.23 23.04 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 118.9 0.773 . . . . 64.319999999999993 111.252 175.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 89.2 t -67.03 87.34 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 CA-C-O 121.677 0.751 . . . . 62.329999999999998 109.31 170.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 92.7 mt -116.73 91.74 3.67 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.027 0.931 . . . . 75.239999999999995 109.547 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.72 -19.78 65.83 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.534 0.734 . . . . 54.0 112.185 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 55.0 m170 -59.66 -21.74 60.94 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.293 0.637 . . . . 72.409999999999997 111.915 172.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -108.19 141.42 39.95 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.095 0.958 . . . . 74.450000000000003 109.919 173.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 70.33 9.25 6.93 Favored 'General case' 0 CA--C 1.57 1.714 0 C-N-CA 124.661 1.185 . . . . 74.209999999999994 113.866 171.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 25.3 p-80 -70.08 133.25 46.98 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.301 -0.875 . . . . 72.430000000000007 111.068 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -79.63 75.22 6.29 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 123.605 0.762 . . . . 73.209999999999994 110.563 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 . . . . . 0 N--CA 1.485 1.301 0 C-N-CA 123.554 0.741 . . . . 62.229999999999997 110.452 179.295 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 119.82 -0.133 . . . . 75.349999999999994 111.112 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.72 124.47 26.08 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 121.642 0.734 . . . . 60.350000000000001 110.237 -176.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.645 ' HG3' ' H ' ' A' ' 5' ' ' LYS . 15.1 tpt -115.16 149.19 38.03 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.236 1.014 . . . . 74.200000000000003 111.453 -169.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -69.3 -22.19 63.81 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.001 0.521 . . . . 73.010000000000005 111.449 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.645 ' H ' ' HG3' ' A' ' 3' ' ' MET . 40.6 ttmt -69.31 -53.71 18.28 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.29 1.036 . . . . 75.209999999999994 111.519 176.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.39 -28.34 67.85 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 122.747 0.419 . . . . 75.129999999999995 111.191 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -67.4 -45.66 75.52 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.385 1.074 . . . . 71.519999999999996 109.529 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.95 84.71 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.913 0.885 . . . . 62.329999999999998 111.674 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.3 -33.71 73.67 Favored Glycine 0 CA--C 1.539 1.559 0 CA-C-N 115.828 -0.624 . . . . 74.420000000000002 114.021 175.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.94 -42.59 85.05 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.241 0.616 . . . . 75.239999999999995 111.037 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.5 mt -64.74 -39.05 92.98 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.97 0.908 . . . . 64.530000000000001 111.088 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.464 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -56.27 -36.43 68.57 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.753 0.821 . . . . 72.120000000000005 112.31 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.52 -39.45 97.35 Favored Glycine 0 CA--C 1.54 1.616 0 CA-C-N 115.74 -0.664 . . . . 65.409999999999997 113.213 172.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -70.26 -53.35 17.31 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.407 0.683 . . . . 74.310000000000002 111.943 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.09 -44.05 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 C-N-CA 123.707 0.803 . . . . 75.239999999999995 110.55 -176.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -66.96 -40.34 87.46 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 112.276 0.473 . . . . 72.400000000000006 112.276 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -65.52 -26.36 67.87 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 118.559 0.618 . . . . 74.239999999999995 112.151 175.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.04 -31.31 68.88 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 123.048 0.539 . . . . 75.409999999999997 111.073 171.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.435 HD22 HG11 ' A' ' 66' ' ' VAL . 94.2 mt -85.82 -24.91 26.58 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.156 0.982 . . . . 75.200000000000003 112.237 176.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.536 ' HA ' HD13 ' A' ' 68' ' ' LEU . 64.3 t30 -73.18 125.45 27.75 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.151 0.58 . . . . 64.030000000000001 111.188 -173.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.56 11.15 80.52 Favored Glycine 0 CA--C 1.538 1.508 0 CA-C-N 116.008 -0.542 . . . . 74.25 114.132 -175.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.8 p -124.69 168.76 12.73 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.367 0.667 . . . . 73.129999999999995 110.382 176.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' HG3' ' HE1' ' A' ' 73' ' ' HIS . 6.1 mp0 -76.03 -12.26 60.1 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 123.231 0.612 . . . . 75.329999999999998 111.46 173.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.57 158.16 7.64 Favored Glycine 0 C--N 1.34 0.776 0 N-CA-C 111.173 -0.771 . . . . 40.310000000000002 111.173 -170.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.4 tp -147.1 148.18 31.33 Favored 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 117.132 0.466 . . . . 72.420000000000002 110.098 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.401 HG23 ' HD1' ' A' ' 65' ' ' PHE . 35.1 p -85.08 164.2 18.35 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.07 0.548 . . . . 74.239999999999995 111.4 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.475 ' NE2' HD13 ' A' ' 64' ' ' ILE . 35.1 tt0 -52.84 -50.4 63.81 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.987 0.915 . . . . 74.030000000000001 112.696 -178.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -56.29 -48.13 77.25 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.756 0.822 . . . . 75.439999999999998 112.196 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -73.37 -27.08 61.29 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 115.577 -0.738 . . . . 74.219999999999999 112.365 -175.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.2 mt -72.64 -48.13 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 122.806 0.443 . . . . 63.539999999999999 110.38 173.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.446 ' HZ1' ' HB3' ' A' ' 31' ' ' LYS . 8.1 mtpm? -61.14 -26.08 67.44 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 123.417 0.687 . . . . 71.349999999999994 111.843 177.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -66.43 -53.82 31.27 Favored 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 123.983 0.913 . . . . 74.340000000000003 110.985 169.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.15 -26.23 64.77 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.747 0.819 . . . . 61.409999999999997 112.95 -175.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.4 p -98.35 -18.91 18.07 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.301 1.04 . . . . 70.530000000000001 111.922 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt 68.94 26.43 5.76 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 124.63 1.172 . . . . 73.409999999999997 112.208 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.44 102.49 5.2 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.123 -0.489 . . . . 74.409999999999997 110.31 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -61.31 -43.97 97.99 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.265 1.026 . . . . 74.340000000000003 110.822 174.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.96 146.14 28.17 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.37 0.668 . . . . 74.099999999999994 112.306 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.11 -36.28 81.59 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.437 1.095 . . . . 65.439999999999998 111.71 171.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -53.75 -48.29 69.83 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 125.225 1.41 . . . . 73.129999999999995 112.626 -173.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.86 -29.46 70.41 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 114.864 -1.062 . . . . 74.219999999999999 112.218 -176.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -65.11 -45.64 84.3 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.359 -0.382 . . . . 75.099999999999994 110.8 173.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -67.64 -36.62 81.13 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.16 0.584 . . . . 74.239999999999995 112.165 -176.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.86 -41.31 75.03 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.203 0.601 . . . . 75.310000000000002 111.138 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.46 ' O ' HD12 ' A' ' 49' ' ' LEU . . . -65.17 -53.75 31.36 Favored Glycine 0 C--N 1.352 1.463 0 CA-C-N 116.321 -0.4 . . . . 74.430000000000007 113.09 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.428 HD11 HG22 ' A' ' 66' ' ' VAL . 56.8 tp -63.11 -33.69 76.0 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.391 1.077 . . . . 74.340000000000003 111.907 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.39 -31.22 68.59 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-N 115.606 -0.724 . . . . 70.519999999999996 112.825 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.464 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 39.6 t-105 -74.45 -28.43 61.04 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 123.025 0.53 . . . . 72.230000000000004 111.226 177.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.622 HD23 HG12 ' A' ' 55' ' ' VAL . 4.4 mp -62.51 -28.99 70.22 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 123.93 0.892 . . . . 72.439999999999998 111.726 173.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.77 -33.23 75.21 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.691 0.796 . . . . 75.329999999999998 112.165 172.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.671 ' HG2' ' HA ' ' B' ' 51' ' ' ARG . 8.2 mtp180 -58.05 -40.03 79.95 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.417 0.627 . . . . 74.209999999999994 111.2 172.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -85.57 -27.14 25.71 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.087 -0.96 . . . . 75.239999999999995 111.27 -175.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 60.0 27.11 16.47 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.573 1.149 . . . . 71.329999999999998 111.418 -174.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -85.06 -3.59 58.85 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.186 -0.915 . . . . 74.349999999999994 111.489 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.622 HG12 HD23 ' A' ' 49' ' ' LEU . 25.6 m -131.82 164.56 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.695 0.798 . . . . 71.140000000000001 111.019 177.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.58 137.77 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.961 0 C-N-CA 124.333 1.053 . . . . 75.129999999999995 109.584 173.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.1 p -104.05 139.94 38.45 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.309 0.644 . . . . 65.230000000000004 111.544 -170.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.9 m -125.48 144.35 50.58 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.45 1.1 . . . . 71.5 110.425 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -97.91 105.07 17.16 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.98 -0.748 . . . . 73.230000000000004 108.98 176.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.4 t -113.29 109.88 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.281 0.633 . . . . 75.310000000000002 110.498 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 53.01 31.67 11.48 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 114.2 1.185 . . . . 75.530000000000001 114.2 169.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.54 -2.42 64.9 Favored Glycine 0 CA--C 1.54 1.61 0 N-CA-C 115.339 0.896 . . . . 65.209999999999994 115.339 177.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -114.33 154.15 28.53 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 118.435 1.118 . . . . 62.130000000000003 112.071 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.475 HD13 ' NE2' ' A' ' 27' ' ' GLN . 58.1 mt -77.18 110.09 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-N 115.672 -0.695 . . . . 75.540000000000006 110.679 177.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.401 ' HD1' HG23 ' A' ' 26' ' ' THR . 89.2 t80 -104.56 142.36 34.78 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 108.554 -0.906 . . . . 75.420000000000002 108.554 167.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.435 HG11 HD22 ' A' ' 19' ' ' LEU . 5.7 p -139.16 149.83 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 122.776 0.43 . . . . 64.319999999999993 110.056 173.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.477 ' HZ1' ' HB2' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -143.89 153.62 42.51 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.281 0.632 . . . . 71.340000000000003 110.733 -175.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.536 HD13 ' HA ' ' A' ' 20' ' ' ASN . 51.2 mt -71.52 144.84 49.48 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.724 0.297 . . . . 74.140000000000001 110.906 175.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 t -75.51 -9.65 12.93 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.682 0 CA-C-O 121.412 0.625 . . . . 72.150000000000006 110.022 173.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.7 mt -91.85 34.39 1.0 Allowed 'General case' 0 CA--C 1.562 1.412 0 C-N-CA 124.437 1.095 . . . . 65.219999999999999 112.135 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -82.23 104.4 12.52 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.973 0.509 . . . . 75.120000000000005 110.881 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -88.25 67.69 8.81 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.51 0.724 . . . . 74.510000000000005 112.374 -174.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.435 ' HE1' ' HG3' ' A' ' 23' ' ' GLU . 10.2 p-80 -169.92 156.56 6.23 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.263 0.625 . . . . 75.120000000000005 111.415 169.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -71.13 91.7 0.93 Allowed 'General case' 0 CA--C 1.56 1.34 0 CA-C-O 121.736 0.779 . . . . 73.299999999999997 111.573 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -108.38 112.15 24.44 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.723 0.809 . . . . 75.319999999999993 111.418 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -118.66 144.75 45.98 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.095 0.558 . . . . 73.510000000000005 109.876 168.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 121.641 0.734 . . . . 74.340000000000003 110.254 178.414 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 CA--C 1.555 1.17 0 CA-C-O 120.724 0.297 . . . . 64.209999999999994 111.591 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.506 ' HB2' ' HZ2' ' B' ' 2' ' ' LYS . 0.1 OUTLIER -62.95 91.42 0.04 OUTLIER 'General case' 0 CA--C 1.564 1.514 0 CA-C-O 121.785 0.802 . . . . 75.400000000000006 111.692 173.589 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 86.5 mtp -79.89 117.67 20.96 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 122.948 0.499 . . . . 65.310000000000002 109.96 176.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.27 -13.83 42.7 Favored 'General case' 0 CA--C 1.563 1.479 0 C-N-CA 123.528 0.731 . . . . 74.430000000000007 112.491 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -66.37 -40.18 89.59 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.191 0.996 . . . . 75.129999999999995 110.817 172.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -69.53 -41.05 76.51 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.035 0.445 . . . . 74.230000000000004 109.93 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -60.79 -34.25 74.21 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.681 0.792 . . . . 75.420000000000002 111.205 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.84 -44.45 86.53 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.67 0.788 . . . . 72.129999999999995 111.597 171.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.25 -32.49 76.17 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 115.918 -0.583 . . . . 62.200000000000003 114.144 176.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.79 -40.52 88.15 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.352 0.661 . . . . 71.319999999999993 111.76 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.512 ' HA ' HE21 ' B' ' 14' ' ' GLN . 79.6 mt -65.87 -40.65 91.84 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.448 0.699 . . . . 71.519999999999996 110.822 172.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' B' ' 48' ' ' TRP . . . -59.54 -38.47 81.12 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.737 0.815 . . . . 74.439999999999998 113.162 -177.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.402 ' O ' ' HG3' ' B' ' 17' ' ' GLU . . . -59.35 -53.62 44.71 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 123.664 0.603 . . . . 62.130000000000003 113.289 178.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.512 HE21 ' HA ' ' B' ' 11' ' ' LEU . 29.2 pt20 -70.84 -30.97 67.53 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.194 0.598 . . . . 75.439999999999998 112.411 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.552 HD12 ' HA3' ' B' ' 45' ' ' GLY . 64.1 mt -67.35 -46.03 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 122.943 0.497 . . . . 73.530000000000001 110.826 176.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -56.86 -41.26 77.62 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 123.799 0.84 . . . . 65.230000000000004 111.418 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' B' ' 13' ' ' GLY . 52.5 mt-10 -62.67 -35.04 78.39 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.767 0.827 . . . . 65.140000000000001 112.438 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 -33.12 75.24 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.309 0.643 . . . . 71.299999999999997 111.579 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 mp -83.24 -22.85 32.98 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.508 0.723 . . . . 74.120000000000005 111.502 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -74.26 126.7 31.2 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.931 0.492 . . . . 64.340000000000003 109.826 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.49 -13.9 66.49 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 114.048 0.379 . . . . 75.430000000000007 114.048 -175.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 46.2 p -110.36 172.72 6.7 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.529 0.732 . . . . 72.439999999999998 110.204 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -79.75 0.15 31.88 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 122.877 0.471 . . . . 64.239999999999995 111.915 172.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.21 154.41 14.45 Favored Glycine 0 C--N 1.346 1.109 0 N-CA-C 111.971 -0.452 . . . . 73.230000000000004 111.971 -171.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.505 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 95.9 mt -131.78 154.6 48.92 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.721 0.808 . . . . 75.340000000000003 110.453 -175.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' B' ' 65' ' ' PHE . 43.5 p -77.49 163.6 26.19 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 109.362 -0.607 . . . . 73.299999999999997 109.362 172.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . 0.742 ' HG3' ' HD2' ' B' ' 28' ' ' LYS . 4.4 pt20 -52.57 -40.04 62.18 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 112.797 0.666 . . . . 73.150000000000006 112.797 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.742 ' HD2' ' HG3' ' B' ' 27' ' ' GLN . 0.3 OUTLIER -63.54 -42.17 98.43 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 123.455 0.702 . . . . 74.319999999999993 111.605 177.101 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . 0.505 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 17.1 mm-40 -67.97 -42.56 80.68 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.391 0.676 . . . . 71.349999999999994 111.477 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.453 HG22 HG21 ' B' ' 15' ' ' ILE . 78.5 mt -63.58 -45.57 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.707 0.803 . . . . 74.239999999999995 110.926 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.576 ' HZ1' ' HB3' ' B' ' 31' ' ' LYS . 8.9 mtpm? -51.0 -44.48 60.96 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.846 0.858 . . . . 75.129999999999995 112.335 176.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -67.4 -40.18 85.59 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.363 0.665 . . . . 71.439999999999998 111.655 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.33 69.53 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.323 0.649 . . . . 71.400000000000006 112.3 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.473 HG21 ' HA ' ' B' ' 15' ' ' ILE . 73.5 p -95.78 -7.31 37.48 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 123.964 0.906 . . . . 74.450000000000003 112.465 -176.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt 72.94 18.05 4.09 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 125.386 1.474 . . . . 73.200000000000003 111.681 177.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 mp -70.4 109.64 4.87 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.253 1.021 . . . . 74.319999999999993 110.224 172.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -29.99 66.84 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.926 0.49 . . . . 74.030000000000001 111.028 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.9 144.88 49.5 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.113 0.965 . . . . 74.430000000000007 111.619 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.02 -23.77 67.46 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.151 0.981 . . . . 75.010000000000005 110.968 171.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -53.19 -41.23 65.06 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.518 1.127 . . . . 75.129999999999995 112.251 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.56 -48.74 66.06 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.202 0.601 . . . . 73.310000000000002 109.588 173.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -55.21 -35.95 65.43 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.184 0.993 . . . . 74.140000000000001 113.412 -177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -66.12 -33.12 75.05 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 118.327 0.512 . . . . 73.219999999999999 111.95 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -72.79 -43.61 62.57 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.139 0.575 . . . . 74.409999999999997 110.471 173.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . 0.552 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -65.02 -60.68 6.55 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-N 116.259 -0.428 . . . . 62.520000000000003 113.324 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 62.2 tp -53.56 -35.07 60.37 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.103 0.961 . . . . 75.329999999999998 112.379 170.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.46 -33.41 84.61 Favored Glycine 0 CA--C 1.533 1.162 0 N-CA-C 112.34 -0.304 . . . . 75.030000000000001 112.34 176.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' TRP . . . . . 0.547 ' HB3' ' HB3' ' B' ' 12' ' ' ALA . 35.9 t-105 -77.49 -33.8 54.4 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.475 0.71 . . . . 72.549999999999997 111.675 173.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.645 ' HB3' HG23 ' B' ' 55' ' ' VAL . 8.7 mp -60.0 -34.55 73.49 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.244 0.618 . . . . 74.239999999999995 111.548 171.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 93.9 mt -77.51 -34.59 54.05 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.296 0.638 . . . . 75.510000000000005 111.03 171.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.671 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -55.28 -47.94 74.76 Favored 'General case' 0 N--CA 1.499 2.016 0 C-N-CA 124.385 1.074 . . . . 74.439999999999998 111.931 -178.2 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -95.59 -0.32 52.03 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 111.948 0.351 . . . . 71.310000000000002 111.948 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 58.38 42.05 22.02 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.88 0.872 . . . . 64.230000000000004 111.362 -173.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -71.33 -34.91 70.96 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.668 1.187 . . . . 73.420000000000002 110.741 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.645 HG23 ' HB3' ' B' ' 49' ' ' LEU . 15.7 m -133.64 178.53 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 CA-C-O 121.581 0.705 . . . . 75.209999999999994 112.036 -173.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -130.58 136.75 57.71 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 C-N-CA 124.818 1.247 . . . . 71.420000000000002 109.967 172.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 66.6 p -105.6 155.57 19.09 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.422 0.689 . . . . 64.530000000000001 110.459 -178.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 68.3 m -140.79 143.6 34.96 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.838 0.855 . . . . 74.230000000000004 110.318 -177.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -97.67 103.76 15.72 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.56 -0.904 . . . . 75.129999999999995 108.56 174.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 86.0 t -107.94 102.04 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 108.662 -0.866 . . . . 63.310000000000002 108.662 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 44.45 43.69 6.43 Favored 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 125.311 1.444 . . . . 72.219999999999999 113.448 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.2 -25.29 28.28 Favored Glycine 0 CA--C 1.542 1.764 0 N-CA-C 115.239 0.855 . . . . 74.030000000000001 115.239 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -78.56 136.23 37.49 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 117.708 0.754 . . . . 74.340000000000003 112.067 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 69.2 mt -83.24 95.02 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.289 0 N-CA-C 109.801 -0.444 . . . . 71.150000000000006 109.801 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' PHE . . . . . 0.46 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 65.6 t80 -92.75 115.11 27.81 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.256 1.022 . . . . 74.120000000000005 110.725 178.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 25.7 t -111.04 142.61 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 123.46 0.704 . . . . 73.329999999999998 110.964 -174.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -152.78 152.13 31.26 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 122.73 0.412 . . . . 73.209999999999994 110.745 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 44.8 mt -62.21 151.41 36.21 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 112.357 0.503 . . . . 62.32 112.357 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 86.7 t -69.25 96.35 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 108.47 -0.937 . . . . 51.310000000000002 108.47 167.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 88.6 mt -53.0 -55.29 24.67 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.318 1.047 . . . . 75.120000000000005 112.353 -171.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -134.19 121.6 21.61 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.32 0.648 . . . . 64.239999999999995 109.779 -176.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -141.39 107.83 5.29 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 124.117 0.967 . . . . 74.109999999999999 108.811 171.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -87.49 165.03 15.82 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 113.102 0.778 . . . . 72.209999999999994 113.102 -172.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -58.82 111.98 1.48 Allowed 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 114.698 -1.137 . . . . 73.120000000000005 111.247 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -83.46 85.36 7.26 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.361 0.664 . . . . 75.239999999999995 110.11 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -161.85 137.35 7.52 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.576 0.75 . . . . 75.219999999999999 110.101 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 60.7 m80 . . . . . 0 N--CA 1.483 1.213 0 C-N-CA 123.373 0.669 . . . . 64.040000000000006 110.679 177.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 120.817 0.341 . . . . 75.200000000000003 110.738 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -78.2 90.88 4.31 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 122.854 0.462 . . . . 74.310000000000002 110.994 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.9 mmt -71.79 124.96 25.95 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.333 0.653 . . . . 70.409999999999997 110.964 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.526 ' HB2' ' HG1' ' B' ' 57' ' ' THR . 83.0 mt -67.02 -12.82 60.97 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 123.114 0.566 . . . . 65.549999999999997 111.742 175.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.531 ' HG2' ' HZ3' ' A' ' 48' ' ' TRP . 27.5 ttmt -70.52 -30.6 67.4 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 122.877 0.471 . . . . 75.409999999999997 110.812 172.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -67.45 -44.3 79.01 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.231 0.613 . . . . 74.109999999999999 112.435 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.27 -28.21 67.0 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 111.534 0.198 . . . . 74.299999999999997 111.534 176.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.29 98.63 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.923 0.489 . . . . 64.120000000000005 111.102 174.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.81 -38.78 49.14 Favored Glycine 0 CA--C 1.536 1.385 0 CA-C-N 115.638 -0.71 . . . . 74.25 114.006 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.35 92.09 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.564 0.746 . . . . 74.310000000000002 111.893 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.505 HD11 ' HB3' ' A' ' 41' ' ' ASP . 90.1 mt -69.89 -38.2 76.28 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.668 -0.696 . . . . 75.030000000000001 111.064 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.99 -34.4 69.94 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.996 0.518 . . . . 75.0 112.251 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.75 -55.28 31.31 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-N 115.59 -0.732 . . . . 70.299999999999997 113.467 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.58 -31.09 66.56 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.068 0.547 . . . . 72.109999999999999 112.407 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.2 mt -64.0 -49.11 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 C-N-CA 123.17 0.588 . . . . 73.239999999999995 110.268 174.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -64.11 -40.75 96.88 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-N 115.939 -0.573 . . . . 75.109999999999999 111.614 178.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.17 -31.37 72.52 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.289 0.636 . . . . 75.430000000000007 111.653 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.31 -33.69 73.55 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.37 0.668 . . . . 54.130000000000003 111.14 172.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.4 mt -80.3 -23.09 40.94 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.945 0.898 . . . . 64.340000000000003 112.315 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.486 ' HA ' HD13 ' A' ' 68' ' ' LEU . 23.1 t-20 -68.58 120.42 14.57 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.02 0.528 . . . . 63.509999999999998 111.394 -177.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.88 -28.99 13.05 Favored Glycine 0 CA--C 1.538 1.506 0 CA-C-N 115.754 -0.657 . . . . 72.0 112.809 -170.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.52 HG23 ' H ' ' A' ' 24' ' ' GLY . 11.7 m -88.67 154.15 20.53 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.02 0.928 . . . . 65.209999999999994 110.727 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -84.83 -8.25 58.87 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.486 0.714 . . . . 70.310000000000002 112.593 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.52 ' H ' HG23 ' A' ' 22' ' ' THR . . . 146.83 143.34 3.86 Favored Glycine 0 C--N 1.346 1.105 0 N-CA-C 113.492 0.157 . . . . 73.439999999999998 113.492 -177.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.473 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 93.9 mt -136.0 158.63 43.94 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.343 1.057 . . . . 73.319999999999993 110.256 177.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.5 p -86.77 172.36 10.21 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.32 0.248 . . . . 73.439999999999998 110.473 171.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -51.46 -45.38 62.7 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.764 0.826 . . . . 72.409999999999997 111.882 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.584 ' HB3' ' HZ2' ' A' ' 28' ' ' LYS . 7.9 mtpm? -63.42 -39.34 94.22 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.91 0.884 . . . . 73.129999999999995 112.954 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.473 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 7.2 mm-40 -70.56 -37.28 73.97 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.199 0.523 . . . . 72.349999999999994 111.38 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.3 mt -68.21 -39.69 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 115.487 -0.779 . . . . 75.200000000000003 111.202 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -53.56 -39.56 64.86 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 123.521 0.728 . . . . 75.439999999999998 112.1 175.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -70.5 -44.15 68.21 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 122.965 0.506 . . . . 64.450000000000003 111.583 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.8 -23.01 61.49 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.751 1.019 . . . . 74.25 113.751 -174.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.438 ' OG1' ' HG ' ' A' ' 36' ' ' LEU . 75.9 p -121.76 -9.38 8.86 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 113.092 0.775 . . . . 73.030000000000001 113.092 -177.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? 52.86 40.52 30.92 Favored 'General case' 0 N--CA 1.504 2.262 0 C-N-CA 125.777 1.631 . . . . 73.530000000000001 113.271 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.438 ' HG ' ' OG1' ' A' ' 34' ' ' THR . 83.4 mt -56.14 126.58 26.67 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 115.583 -0.735 . . . . 71.329999999999998 110.786 177.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.585 ' HD3' ' H ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -63.57 -32.6 74.11 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.011 0.925 . . . . 71.099999999999994 111.209 -169.419 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.41 162.67 34.77 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.43 1.092 . . . . 72.519999999999996 109.872 169.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.02 -24.36 66.0 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.911 0.485 . . . . 74.230000000000004 110.333 169.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -51.94 -38.07 55.12 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.183 0.993 . . . . 74.310000000000002 111.308 171.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.505 ' HB3' HD11 ' A' ' 11' ' ' LEU . 44.3 m-20 -67.37 -38.04 84.13 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.711 0.804 . . . . 64.340000000000003 111.414 175.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -62.04 -43.75 98.17 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.484 0.714 . . . . 73.239999999999995 112.034 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -65.3 -36.13 83.14 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 122.979 0.512 . . . . 74.329999999999998 112.21 -174.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -71.99 -37.97 69.77 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 122.984 0.514 . . . . 73.140000000000001 111.076 175.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.59 -45.99 86.74 Favored Glycine 0 CA--C 1.539 1.581 0 CA-C-N 116.549 -0.296 . . . . 74.030000000000001 112.884 175.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.7 tp -64.59 -31.02 72.05 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.674 1.19 . . . . 72.25 111.504 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.2 -33.06 85.89 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-N 116.116 -0.493 . . . . 62.340000000000003 112.307 176.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.531 ' HZ3' ' HG2' ' A' ' 5' ' ' LYS . 8.7 t-105 -77.9 -32.27 51.68 Favored 'General case' 0 CA--C 1.56 1.339 0 C-N-CA 123.931 0.893 . . . . 73.349999999999994 111.558 175.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' HB3' HG21 ' A' ' 55' ' ' VAL . 7.7 mp -58.09 -46.01 86.22 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.156 0.582 . . . . 71.099999999999994 110.933 170.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.4 mt -70.37 -33.59 71.61 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.038 0.935 . . . . 74.420000000000002 111.513 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.525 ' HD2' ' HA ' ' B' ' 51' ' ' ARG . 28.4 ttt180 -54.97 -49.86 70.37 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.967 0.907 . . . . 71.540000000000006 112.579 177.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.486 ' HB2' ' HG3' ' A' ' 54' ' ' LYS . 33.3 mt-10 -94.74 -6.99 41.84 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.58 -0.736 . . . . 72.209999999999994 111.099 -177.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 58.95 36.03 24.34 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.769 1.228 . . . . 54.219999999999999 111.411 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.486 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 48.5 mtmt -72.69 -18.13 61.57 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.057 -0.974 . . . . 75.219999999999999 111.134 177.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.468 HG21 ' HB3' ' A' ' 49' ' ' LEU . 20.6 m -129.53 168.55 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.606 0.762 . . . . 72.099999999999994 110.584 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.593 HG11 HG22 ' A' ' 69' ' ' VAL . 6.0 m -130.43 139.28 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.77 1.228 . . . . 74.430000000000007 108.818 168.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.631 HG23 HG13 ' A' ' 66' ' ' VAL . 41.5 p -109.58 132.86 53.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.227 0.611 . . . . 63.119999999999997 111.445 -169.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.468 ' HB2' ' HD2' ' A' ' 65' ' ' PHE . 44.3 m -115.71 137.97 51.57 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.114 0.966 . . . . 71.319999999999993 109.505 176.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -96.08 101.33 12.98 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.985 -0.746 . . . . 73.129999999999995 108.985 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.404 HG12 ' HG3' ' A' ' 61' ' ' GLU . 81.7 t -121.66 114.03 41.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.099 0.959 . . . . 73.430000000000007 110.251 -169.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.404 ' HG3' HG12 ' A' ' 60' ' ' VAL . 27.0 mt-10 60.56 30.77 19.99 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.978 1.311 . . . . 71.239999999999995 112.693 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.66 0.0 46.12 Favored Glycine 0 CA--C 1.543 1.805 0 N-CA-C 114.744 0.658 . . . . 54.100000000000001 114.744 -173.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -98.75 155.04 17.55 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.912 0.885 . . . . 64.420000000000002 111.146 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.8 mt -74.45 104.69 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 CA-C-N 115.238 -0.892 . . . . 73.239999999999995 110.52 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.468 ' HD2' ' HB2' ' A' ' 58' ' ' SER . 87.9 t80 -109.2 131.36 55.14 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.72 -0.845 . . . . 72.25 108.72 168.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.631 HG13 HG23 ' A' ' 57' ' ' THR . 19.6 m -125.77 159.11 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.515 0.726 . . . . 74.109999999999999 110.182 -179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.552 ' HG3' HG22 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -152.79 167.97 27.26 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.776 0.83 . . . . 73.230000000000004 109.484 174.737 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 20' ' ' ASN . 32.4 mt -84.62 164.08 18.89 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 118.785 0.721 . . . . 73.120000000000005 112.284 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.593 HG22 HG11 ' A' ' 56' ' ' VAL . 55.2 t -88.48 97.46 6.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 CA-C-N 114.954 -1.021 . . . . 73.030000000000001 109.874 174.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -128.9 112.4 14.06 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.344 0.592 . . . . 73.540000000000006 110.221 173.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.82 -30.9 68.52 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.515 0.726 . . . . 75.200000000000003 111.402 177.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -84.7 115.37 22.64 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 121.229 0.537 . . . . 74.129999999999995 110.328 175.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -160.25 97.05 1.22 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.941 0.896 . . . . 75.540000000000006 109.424 175.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -86.6 21.57 2.14 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.075 0.55 . . . . 74.439999999999998 112.368 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -121.49 122.77 40.47 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.021 0.928 . . . . 75.319999999999993 110.594 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -87.47 153.8 21.14 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.585 0.754 . . . . 74.420000000000002 111.256 175.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 . . . . . 0 N--CA 1.481 1.09 0 C-N-CA 123.477 0.711 . . . . 74.040000000000006 110.741 178.48 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.467 ' SD ' ' N ' ' B' ' 1' ' ' MET . 1.4 mpt? . . . . . 0 CA--C 1.545 0.752 0 N-CA-C 109.829 -0.434 . . . . 75.129999999999995 109.829 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.584 ' HB3' ' HZ2' ' B' ' 2' ' ' LYS . 7.9 mtpm? 58.04 78.65 0.23 Allowed 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 124.883 1.273 . . . . 71.530000000000001 113.96 172.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 20.0 ptm -95.04 148.36 22.42 Favored 'General case' 0 N--CA 1.483 1.195 0 O-C-N 121.62 -0.675 . . . . 74.340000000000003 110.521 170.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.5 mp -53.54 -30.23 40.69 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.589 0.756 . . . . 75.219999999999999 112.382 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -64.93 -38.61 91.55 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 123.049 0.54 . . . . 73.109999999999999 112.052 -177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -65.94 -51.12 61.31 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.047 0.539 . . . . 73.430000000000007 111.263 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -23.27 60.38 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 112.236 0.458 . . . . 74.230000000000004 112.236 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.84 94.74 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 122.942 0.497 . . . . 74.519999999999996 111.104 170.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.98 -32.3 76.84 Favored Glycine 0 CA--C 1.537 1.45 0 CA-C-N 115.72 -0.673 . . . . 75.510000000000005 113.569 174.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.19 -43.2 78.64 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.223 0.609 . . . . 75.239999999999995 111.271 175.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.98 -36.1 82.38 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.334 0.654 . . . . 73.400000000000006 110.781 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.3 -46.18 91.38 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.678 0.791 . . . . 43.43 112.929 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.8 -53.04 38.54 Favored Glycine 0 C--N 1.347 1.14 0 O-C-N 124.128 0.892 . . . . 73.230000000000004 113.913 -175.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -65.0 -37.79 88.81 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 123.486 0.714 . . . . 72.439999999999998 112.544 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.686 HG21 HG22 ' B' ' 30' ' ' ILE . 77.3 mt -66.47 -43.47 90.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 C-N-CA 123.701 0.8 . . . . 72.200000000000003 111.838 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -61.97 -43.08 99.6 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.623 0.769 . . . . 75.129999999999995 111.523 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -64.46 -30.38 71.42 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.423 0.689 . . . . 73.109999999999999 112.434 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -33.26 74.59 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.197 0.522 . . . . 73.120000000000005 111.308 172.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.544 HD21 HD11 ' B' ' 30' ' ' ILE . 88.2 mt -87.43 -20.45 26.61 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.992 0.917 . . . . 73.519999999999996 112.563 177.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -70.46 124.65 24.72 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.89 0.476 . . . . 74.349999999999994 111.098 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.77 4.79 88.36 Favored Glycine 0 CA--C 1.54 1.594 0 CA-C-N 116.095 -0.502 . . . . 72.439999999999998 113.296 -173.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.496 HG22 ' H ' ' B' ' 24' ' ' GLY . 29.6 m -122.89 147.63 46.36 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.59 1.156 . . . . 73.109999999999999 109.745 -176.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.17 -22.28 62.06 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.789 0.436 . . . . 73.219999999999999 111.96 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.496 ' H ' HG22 ' B' ' 22' ' ' THR . . . 148.52 147.53 4.55 Favored Glycine 0 C--N 1.348 1.236 0 CA-C-N 116.225 -0.443 . . . . 73.319999999999993 112.061 -174.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.459 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 87.3 mt -138.95 159.01 43.16 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.789 0.835 . . . . 74.5 111.02 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 29.9 p -82.37 168.91 17.04 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 116.066 -0.516 . . . . 74.019999999999996 110.536 172.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -60.7 -31.64 70.9 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.39 0.276 . . . . 72.109999999999999 111.666 175.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -63.82 -48.9 74.97 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.645 0.778 . . . . 73.319999999999993 111.585 176.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . 0.459 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 80.4 mm-40 -63.63 -47.29 81.95 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 115.568 -0.742 . . . . 64.430000000000007 111.506 -178.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.686 HG22 HG21 ' B' ' 15' ' ' ILE . 83.9 mt -68.08 -49.46 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 115.317 -0.856 . . . . 73.150000000000006 111.808 -177.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -59.46 -36.71 76.48 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 122.932 0.493 . . . . 72.129999999999995 110.958 -175.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -68.64 -47.89 65.44 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.779 0.832 . . . . 74.310000000000002 110.688 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.29 -31.59 71.42 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.42 0.688 . . . . 62.149999999999999 112.384 -178.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 80.8 p -93.18 -10.91 34.12 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.442 1.097 . . . . 73.209999999999994 112.107 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt 71.98 19.75 4.59 Favored 'General case' 0 CA--C 1.569 1.675 0 C-N-CA 124.956 1.303 . . . . 74.099999999999994 111.5 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' B' ' 41' ' ' ASP . 96.7 mt -75.94 154.71 35.73 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.474 0.71 . . . . 70.319999999999993 109.963 173.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -117.94 -40.05 3.03 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 112.514 0.561 . . . . 71.430000000000007 112.514 -170.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.21 150.11 20.61 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.635 0.774 . . . . 72.519999999999996 111.105 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -58.78 -34.92 71.99 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.515 1.126 . . . . 73.040000000000006 111.088 171.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -60.55 -37.06 80.03 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.036 1.334 . . . . 74.5 111.805 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.415 ' HB3' HD21 ' B' ' 36' ' ' LEU . 65.5 m-20 -61.29 -38.44 86.8 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.335 0.654 . . . . 72.129999999999995 110.941 178.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -70.94 -38.29 72.87 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.348 -0.842 . . . . 73.209999999999994 111.4 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -72.35 -44.14 63.05 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.333 0.494 . . . . 72.150000000000006 112.333 -175.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 mp -66.75 -31.55 72.28 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.147 0.579 . . . . 74.140000000000001 111.1 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . 0.561 ' HA3' HD11 ' B' ' 15' ' ' ILE . . . -74.38 -50.48 9.89 Favored Glycine 0 CA--C 1.538 1.503 0 CA-C-N 116.144 -0.48 . . . . 60.420000000000002 113.256 173.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 55.5 tp -64.37 -31.41 72.6 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.977 0.911 . . . . 72.340000000000003 111.722 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.98 -31.21 71.77 Favored Glycine 0 CA--C 1.535 1.293 0 CA-C-N 115.869 -0.605 . . . . 71.25 112.802 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' TRP . . . . . 0.483 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 7.1 t-105 -77.0 -34.12 57.53 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-O 121.583 0.706 . . . . 72.420000000000002 111.185 174.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.469 HD23 HG12 ' B' ' 55' ' ' VAL . 6.6 mp -66.0 -30.67 71.26 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.873 -0.517 . . . . 74.439999999999998 110.746 174.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.56 -36.13 57.8 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.124 0.97 . . . . 73.219999999999999 111.253 172.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.525 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -64.51 -35.71 81.84 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 122.526 0.33 . . . . 73.420000000000002 111.864 -178.755 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -95.89 0.65 52.28 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.193 0.597 . . . . 72.019999999999996 112.401 175.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 63.39 15.06 8.42 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 124.381 1.072 . . . . 54.049999999999997 112.166 176.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -84.22 6.02 24.31 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.906 0.882 . . . . 71.209999999999994 112.403 -172.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.469 HG12 HD23 ' B' ' 49' ' ' LEU . 29.5 m -137.38 171.69 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.658 0.783 . . . . 73.120000000000005 110.511 165.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.583 HG11 ' HZ2' ' B' ' 67' ' ' LYS . 7.4 p -143.42 144.62 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 114.742 -1.117 . . . . 74.230000000000004 108.642 169.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' THR . . . . . 0.526 ' HG1' ' HB2' ' A' ' 4' ' ' LEU . 74.5 p -100.3 156.21 17.36 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.082 0.553 . . . . 72.209999999999994 111.386 -168.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 47.0 t -146.82 160.46 42.25 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.908 0.883 . . . . 73.400000000000006 110.011 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -107.51 117.82 35.09 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.769 0.828 . . . . 72.140000000000001 108.833 174.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 40.5 t -114.91 107.87 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 122.889 0.476 . . . . 75.299999999999997 110.368 170.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 54.5 33.27 18.5 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 124.501 1.121 . . . . 73.129999999999995 112.885 174.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.88 13.43 60.83 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 115.934 -0.576 . . . . 65.209999999999994 114.023 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -115.36 146.57 41.44 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.502 0.721 . . . . 71.420000000000002 111.741 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 62.9 mt -74.93 108.28 6.41 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 C-N-CA 123.065 0.546 . . . . 71.129999999999995 110.387 174.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -115.5 104.16 11.47 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.63 1.172 . . . . 73.519999999999996 109.412 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.486 HG12 HG21 ' B' ' 57' ' ' THR . 34.7 m -109.71 156.51 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 123.078 0.551 . . . . 74.319999999999993 111.704 -176.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.583 ' HZ2' HG11 ' B' ' 56' ' ' VAL . 0.0 OUTLIER -158.66 154.93 27.24 Favored 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 122.924 0.49 . . . . 73.349999999999994 111.812 -174.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.449 HD22 HG11 ' B' ' 55' ' ' VAL . 39.8 mt -70.68 81.0 0.6 Allowed 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 112.72 0.637 . . . . 73.329999999999998 112.72 -174.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 23.8 t 57.55 16.82 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.58 2.112 0 C-N-CA 124.303 1.041 . . . . 65.549999999999997 112.38 176.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 88.5 mt -91.57 142.77 27.28 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.269 -0.895 . . . . 73.400000000000006 110.703 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -130.7 159.04 38.43 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 121.244 0.545 . . . . 64.510000000000005 112.185 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -165.47 159.83 17.27 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.605 1.162 . . . . 74.349999999999994 109.834 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -63.56 119.48 9.9 Favored 'General case' 0 CA--C 1.559 1.32 0 N-CA-C 113.406 0.891 . . . . 74.329999999999998 113.406 -172.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -163.07 93.74 0.8 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.582 1.153 . . . . 73.109999999999999 108.639 171.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -85.65 99.88 11.59 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-O 120.933 0.397 . . . . 72.430000000000007 111.691 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -170.5 125.56 0.73 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.011 0.925 . . . . 75.430000000000007 110.197 175.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 121.445 0.641 . . . . 72.319999999999993 111.725 178.43 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.488 1.461 0 N-CA-C 110.4 -0.222 . . . . 62.119999999999997 110.4 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm 66.68 24.67 9.99 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 124.81 1.244 . . . . 71.420000000000002 114.213 175.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.6 mtp -74.8 155.01 38.05 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 122.963 0.505 . . . . 75.329999999999998 111.151 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.03 -41.9 88.89 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.511 0.724 . . . . 74.129999999999995 110.291 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -59.25 -37.43 77.57 Favored 'General case' 0 CA--C 1.559 1.293 0 N-CA-C 113.031 0.752 . . . . 75.239999999999995 113.031 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -77.49 -43.76 31.1 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.571 0.749 . . . . 75.219999999999999 111.804 -175.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -70.02 -41.31 74.45 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 111.664 0.246 . . . . 64.200000000000003 111.664 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.69 -32.0 73.47 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.258 0.623 . . . . 73.150000000000006 110.712 174.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.14 -32.0 66.02 Favored Glycine 0 CA--C 1.541 1.676 0 CA-C-N 115.679 -0.691 . . . . 74.319999999999993 113.791 174.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.48 -45.46 65.64 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.413 0.685 . . . . 75.200000000000003 111.067 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.34 -37.96 85.17 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.768 0.827 . . . . 74.430000000000007 110.638 172.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.72 92.53 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.572 0.749 . . . . 75.349999999999994 112.93 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.69 -47.41 71.02 Favored Glycine 0 CA--C 1.536 1.401 0 O-C-N 123.832 0.708 . . . . 71.329999999999998 114.282 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.432 ' NE2' HD22 ' A' ' 36' ' ' LEU . 11.1 pt20 -74.51 -38.47 62.81 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.423 0.689 . . . . 73.430000000000007 112.789 -178.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.457 HD12 ' HA3' ' A' ' 45' ' ' GLY . 89.1 mt -69.37 -43.1 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 C-N-CA 122.63 0.372 . . . . 64.510000000000005 110.992 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -55.81 -45.25 78.33 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.722 0.809 . . . . 71.430000000000007 110.408 171.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -32.54 74.29 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 123.949 0.9 . . . . 73.129999999999995 111.271 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.77 -35.17 78.2 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.435 0.694 . . . . 73.420000000000002 111.04 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.4 mt -82.75 -16.03 49.55 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 123.703 0.801 . . . . 72.140000000000001 112.03 175.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.46 ' HA ' ' HE2' ' A' ' 75' ' ' HIS . 51.1 t30 -70.96 130.59 41.99 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 109.521 -0.548 . . . . 71.409999999999997 109.521 172.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.84 -38.62 3.16 Favored Glycine 0 CA--C 1.539 1.546 0 CA-C-N 116.246 -0.434 . . . . 74.140000000000001 112.825 -172.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -88.64 149.01 23.75 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.763 0.825 . . . . 74.340000000000003 110.641 -177.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.31 1.06 55.95 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.045 0.538 . . . . 70.230000000000004 111.153 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.551 ' HA2' ' HB3' ' A' ' 67' ' ' LYS . . . 156.07 139.33 2.73 Favored Glycine 0 C--N 1.35 1.33 0 CA-C-O 120.076 -0.291 . . . . 73.329999999999998 112.683 -179.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.9 tp -151.63 150.49 30.33 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-N 117.183 0.492 . . . . 75.430000000000007 110.392 -177.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 79.5 p -88.53 156.61 18.98 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 122.894 0.478 . . . . 75.420000000000002 111.459 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -50.95 -40.75 58.27 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 124.885 1.274 . . . . 72.140000000000001 113.926 -174.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -69.73 -36.85 76.2 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.863 0.865 . . . . 65.239999999999995 112.517 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -77.81 -30.59 51.26 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.984 0.514 . . . . 73.129999999999995 111.091 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.5 mt -68.56 -45.46 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 123.364 0.666 . . . . 74.329999999999998 111.197 175.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -65.46 -25.5 67.52 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 122.527 0.331 . . . . 74.299999999999997 111.74 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -67.01 -50.25 62.72 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.078 0.551 . . . . 74.340000000000003 110.773 169.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.77 -34.14 77.49 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.765 0.826 . . . . 73.340000000000003 112.483 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.8 p -96.84 -7.19 34.18 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.37 1.068 . . . . 73.310000000000002 112.58 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' HB3' ' HZ1' ' A' ' 35' ' ' LYS . 4.0 mmmp? 65.88 30.31 9.96 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 124.752 1.221 . . . . 74.340000000000003 112.597 176.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.432 HD22 ' NE2' ' A' ' 14' ' ' GLN . 91.5 mt -75.91 129.6 37.2 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.237 0.615 . . . . 63.420000000000002 110.359 176.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -67.97 -49.52 61.18 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.342 0.657 . . . . 71.120000000000005 109.683 174.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.9 149.43 37.21 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.466 0.706 . . . . 63.229999999999997 112.023 -175.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.85 -22.08 66.51 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.378 1.071 . . . . 74.420000000000002 111.531 170.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -55.87 -37.55 68.96 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.733 0.813 . . . . 73.409999999999997 112.195 173.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.46 -34.15 75.44 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.163 0.585 . . . . 61.039999999999999 110.799 174.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -68.58 -33.25 73.74 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.812 -0.631 . . . . 70.219999999999999 111.28 174.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -72.28 -38.85 68.69 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 118.11 0.414 . . . . 73.040000000000006 111.973 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.36 -40.58 73.96 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 122.966 0.507 . . . . 72.239999999999995 111.105 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.458 ' O ' HD12 ' A' ' 49' ' ' LEU . . . -66.36 -55.53 17.9 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-N 116.151 -0.477 . . . . 75.129999999999995 113.171 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.2 -33.98 74.34 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 124.14 0.976 . . . . 72.109999999999999 111.884 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.36 -33.69 87.93 Favored Glycine 0 N--CA 1.474 1.217 0 N-CA-C 112.147 -0.381 . . . . 73.120000000000005 112.147 175.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.499 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 51.2 t-105 -72.19 -39.4 68.65 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 122.943 0.497 . . . . 65.25 110.536 172.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.626 HD23 HG12 ' A' ' 55' ' ' VAL . 6.9 mp -57.05 -37.12 71.36 Favored 'General case' 0 N--CA 1.5 2.025 0 C-N-CA 123.409 0.683 . . . . 74.329999999999998 112.284 174.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.91 -42.96 80.32 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.704 0.802 . . . . 73.519999999999996 111.722 177.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.88 ' HB2' ' HB3' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -73.46 -22.69 60.11 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 120.561 0.22 . . . . 71.430000000000007 111.563 178.511 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' HB3' ' HE2' ' A' ' 54' ' ' LYS . 9.7 mm-40 -77.42 -22.16 51.98 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.056 0.943 . . . . 73.219999999999999 111.744 173.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.4 t0 64.61 22.27 12.6 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 124.288 1.035 . . . . 54.25 111.148 -177.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 52' ' ' GLU . 53.8 mtmt -95.26 0.62 54.04 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.141 0.576 . . . . 73.409999999999997 112.431 -177.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.626 HG12 HD23 ' A' ' 49' ' ' LEU . 33.2 m -136.89 170.8 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 CA-C-O 121.987 0.898 . . . . 74.109999999999999 113.357 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.494 HG11 ' HE3' ' A' ' 67' ' ' LYS . 4.7 p -134.07 137.32 52.26 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 CA-C-N 113.812 -1.54 . . . . 71.540000000000006 109.681 165.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 82.6 p -103.56 156.84 17.47 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.593 0.757 . . . . 72.239999999999995 110.912 -175.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.2 t -153.95 171.01 19.68 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.876 0.87 . . . . 72.439999999999998 110.191 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -120.52 125.34 47.6 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.975 0.51 . . . . 73.219999999999999 111.101 176.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -110.25 107.39 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 109.087 -0.708 . . . . 75.099999999999994 109.087 167.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 52.45 48.44 22.6 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 125.372 1.469 . . . . 64.239999999999995 113.721 173.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.37 -3.63 86.88 Favored Glycine 0 C--N 1.352 1.429 0 N-CA-C 114.914 0.726 . . . . 64.030000000000001 114.914 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -117.16 152.02 35.64 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 117.626 0.713 . . . . 70.140000000000001 111.246 -175.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.1 mt -77.89 118.18 24.4 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.152 0 C-N-CA 123.054 0.542 . . . . 74.420000000000002 111.673 -173.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -117.44 110.89 18.56 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.09 1.356 . . . . 74.299999999999997 108.941 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.0 m -120.26 159.6 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.765 -0.584 . . . . 74.340000000000003 112.149 -175.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.551 ' HB3' ' HA2' ' A' ' 24' ' ' GLY . 0.2 OUTLIER -154.42 167.59 29.5 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.45 0.7 . . . . 74.239999999999995 109.805 178.537 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.493 HD21 HG11 ' A' ' 55' ' ' VAL . 58.8 mt -71.01 171.32 11.05 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.619 0.247 . . . . 71.319999999999993 110.934 173.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.4 t -69.07 94.39 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 N-CA-C 109.202 -0.666 . . . . 73.239999999999995 109.202 172.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.444 HD23 ' HB3' ' A' ' 75' ' ' HIS . 38.0 mt -74.49 93.47 2.47 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.697 -0.683 . . . . 74.200000000000003 110.679 -173.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -117.86 -38.67 3.21 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.7 0.8 . . . . 74.140000000000001 110.846 177.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -96.68 145.85 25.4 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.465 0.706 . . . . 72.140000000000001 111.638 -175.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -61.11 -14.97 28.08 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 114.403 1.26 . . . . 75.239999999999995 114.403 -174.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -67.01 -19.92 65.78 Favored 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 123.545 0.738 . . . . 74.319999999999993 112.41 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.46 ' HE2' ' HA ' ' A' ' 20' ' ' ASN . 25.1 m80 -107.99 13.33 26.22 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.741 0.816 . . . . 74.140000000000001 111.945 174.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -104.95 113.2 26.65 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.019 0.528 . . . . 75.150000000000006 110.5 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 45.5 m80 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 121.543 0.687 . . . . 73.5 110.019 175.641 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.55 0.953 0 CA-C-O 121.023 0.44 . . . . 74.219999999999999 111.377 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -125.74 166.91 15.92 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.922 0.889 . . . . 61.229999999999997 110.065 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 72.2 mtm -79.84 176.1 10.03 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 121.455 0.645 . . . . 74.319999999999993 112.337 -177.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -63.8 -13.93 48.54 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.919 0.888 . . . . 73.340000000000003 112.18 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -62.72 -42.33 99.6 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.201 1.0 . . . . 74.25 110.859 171.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -62.54 -41.59 98.97 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.096 -0.956 . . . . 71.510000000000005 111.06 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -55.06 -55.17 33.97 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.604 -0.725 . . . . 75.400000000000006 111.255 172.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.73 -34.42 65.14 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.807 0.843 . . . . 71.200000000000003 112.239 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.13 -40.29 42.64 Favored Glycine 0 CA--C 1.541 1.68 0 CA-C-N 115.569 -0.741 . . . . 75.319999999999993 113.471 176.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.89 83.82 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.646 0.778 . . . . 74.340000000000003 111.793 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 70.8 mt -70.5 -38.48 74.34 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.925 0.89 . . . . 54.530000000000001 110.465 175.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.01 -42.64 80.68 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.512 0.725 . . . . 64.219999999999999 112.685 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.32 -55.76 27.4 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-N 115.707 -0.678 . . . . 71.319999999999993 113.664 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -69.4 -36.92 77.23 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 112.737 0.643 . . . . 73.5 112.737 -175.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.525 ' HA ' HG21 ' B' ' 34' ' ' THR . 71.2 mt -64.02 -46.46 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 123.172 0.589 . . . . 75.109999999999999 111.162 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -60.84 -46.38 90.78 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 122.809 0.444 . . . . 75.030000000000001 111.23 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.65 -27.33 69.15 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.695 0.798 . . . . 71.430000000000007 112.413 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.22 -34.01 77.04 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.047 0.539 . . . . 71.150000000000006 111.828 174.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.565 HD21 HG23 ' B' ' 66' ' ' VAL . 8.6 mp -89.73 -15.6 32.13 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.555 0.742 . . . . 73.430000000000007 111.848 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -64.76 119.37 10.48 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.51 0.324 . . . . 71.239999999999995 110.673 -178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.18 -38.09 3.49 Favored Glycine 0 CA--C 1.537 1.457 0 CA-C-N 116.461 -0.336 . . . . 74.209999999999994 113.622 -173.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.9 p -84.96 171.43 12.14 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 117.293 0.547 . . . . 61.329999999999998 111.827 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -87.74 5.39 40.16 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.526 0.73 . . . . 74.120000000000005 111.356 173.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.485 ' HA3' ' HB3' ' B' ' 67' ' ' LYS . . . 124.03 154.72 8.99 Favored Glycine 0 C--N 1.353 1.515 0 C-N-CA 123.126 0.393 . . . . 74.0 113.677 -178.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 96.4 mt -133.83 156.19 48.48 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.82 0.848 . . . . 75.349999999999994 110.645 -177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 70.7 p -85.55 159.48 19.88 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.87 0.468 . . . . 71.109999999999999 110.273 172.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -53.69 -36.38 62.12 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.923 0.889 . . . . 74.420000000000002 112.632 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -57.18 -50.76 71.83 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.916 0.886 . . . . 72.530000000000001 112.362 172.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -67.49 -37.58 83.06 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.742 0.817 . . . . 75.019999999999996 111.817 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.2 mt -71.77 -45.33 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.603 0.761 . . . . 72.349999999999994 111.328 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.654 ' HG3' ' HB2' ' B' ' 36' ' ' LEU . 62.2 tttm -59.42 -44.12 92.94 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.57 0.748 . . . . 71.129999999999995 111.691 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -67.25 -44.01 80.48 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 122.86 0.464 . . . . 71.200000000000003 111.557 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.37 -49.7 74.49 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.079 0.552 . . . . 75.129999999999995 112.177 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.525 HG21 ' HA ' ' B' ' 15' ' ' ILE . 66.9 p -85.72 -9.53 57.02 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.683 0.793 . . . . 72.120000000000005 112.3 -178.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? 64.57 58.7 1.01 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.425 1.09 . . . . 74.129999999999995 111.962 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.654 ' HB2' ' HG3' ' B' ' 31' ' ' LYS . 67.1 mt -84.3 144.23 29.01 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 115.36 -0.836 . . . . 72.510000000000005 110.755 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -75.55 -37.87 59.67 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.498 0.719 . . . . 73.209999999999994 109.832 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.49 165.46 27.18 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.855 -1.066 . . . . 70.209999999999994 110.619 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.59 -23.83 65.43 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.73 0.812 . . . . 74.430000000000007 111.58 174.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -54.77 -34.09 62.19 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.046 0.938 . . . . 74.239999999999995 112.226 172.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -64.57 -35.55 81.35 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.107 0.563 . . . . 64.299999999999997 110.983 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -68.52 -43.69 76.25 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.434 -0.348 . . . . 71.519999999999996 110.696 177.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -65.64 -43.73 88.55 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.982 0.513 . . . . 75.120000000000005 112.175 -175.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.27 -42.34 84.0 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.25 0.62 . . . . 75.25 111.437 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . 0.466 ' O ' HD11 ' B' ' 49' ' ' LEU . . . -64.41 -44.1 95.8 Favored Glycine 0 CA--C 1.538 1.489 0 CA-C-N 116.52 -0.309 . . . . 75.150000000000006 113.171 175.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.1 tp -65.07 -32.54 74.31 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 124.154 0.981 . . . . 73.409999999999997 111.625 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.32 -31.91 80.41 Favored Glycine 0 N--CA 1.475 1.272 0 CA-C-N 115.863 -0.608 . . . . 75.420000000000002 112.567 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' TRP . . . . . 0.441 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 7.9 t-105 -76.72 -32.11 57.6 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 123.284 0.633 . . . . 75.430000000000007 110.611 175.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.513 ' HB3' HG23 ' B' ' 55' ' ' VAL . 5.9 mp -66.31 -30.1 70.45 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.086 0.554 . . . . 74.400000000000006 111.329 171.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.18 -38.18 75.32 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.779 0.832 . . . . 75.349999999999994 112.714 175.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.88 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 16.5 ptm180 -69.06 -28.91 66.95 Favored 'General case' 0 N--CA 1.5 2.032 0 CA-C-N 118.386 0.539 . . . . 74.25 111.764 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -90.8 -18.41 24.95 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.103 0.561 . . . . 74.319999999999993 110.622 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 30.1 t70 66.02 25.01 10.99 Favored 'General case' 0 CA--C 1.568 1.659 0 CA-C-O 122.363 1.077 . . . . 73.439999999999998 110.939 176.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -78.23 -10.84 59.83 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 115.519 -0.764 . . . . 74.299999999999997 112.038 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.513 HG23 ' HB3' ' B' ' 49' ' ' LEU . 33.2 m -133.08 164.36 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 CA-C-O 121.321 0.582 . . . . 73.219999999999999 111.612 178.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 6.6 p -135.35 143.99 35.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 C-N-CA 124.233 1.013 . . . . 63.420000000000002 109.401 174.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 65.6 p -100.58 142.83 31.51 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.369 0.667 . . . . 74.209999999999994 110.827 -172.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 59.9 m -142.3 153.86 44.24 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.204 1.002 . . . . 60.200000000000003 109.929 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -103.47 104.95 15.09 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.049 0.539 . . . . 74.040000000000006 110.044 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 55.2 t -105.24 109.34 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 109.464 -0.569 . . . . 65.019999999999996 109.464 170.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 57.48 38.68 28.21 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.152 1.381 . . . . 74.219999999999999 112.432 174.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.04 -28.29 8.95 Favored Glycine 0 CA--C 1.544 1.884 0 N-CA-C 114.849 0.7 . . . . 65.239999999999995 114.849 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -92.7 169.29 10.61 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 113.596 0.962 . . . . 74.010000000000005 113.596 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 63.3 mt -81.2 127.37 39.61 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 CA-C-N 114.86 -1.063 . . . . 75.239999999999995 111.788 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -126.74 111.52 14.34 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.227 1.411 . . . . 74.510000000000005 107.846 173.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.565 HG23 HD21 ' B' ' 19' ' ' LEU . 31.9 m -112.3 153.47 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-O 120.825 0.345 . . . . 74.109999999999999 110.916 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.485 ' HB3' ' HA3' ' B' ' 24' ' ' GLY . 21.4 pttp -150.81 152.16 33.37 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 116.077 -0.51 . . . . 74.420000000000002 111.357 -178.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 31.1 mt -69.37 129.45 39.81 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 116.099 -0.5 . . . . 74.439999999999998 111.491 -175.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 49.6 t -74.11 94.59 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 N-CA-C 109.257 -0.646 . . . . 71.150000000000006 109.257 171.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.47 -45.55 83.24 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.718 -0.673 . . . . 74.230000000000004 109.862 174.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -162.99 143.97 9.64 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.842 0.857 . . . . 73.109999999999999 108.692 174.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -71.37 -76.98 0.1 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.244 0.618 . . . . 73.230000000000004 111.592 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 33.7 p80 38.14 117.1 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 126.228 1.811 . . . . 75.150000000000006 115.377 -172.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -62.59 151.87 36.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.755 -0.591 . . . . 72.230000000000004 110.04 174.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 71.14 113.84 0.05 Allowed 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 124.954 1.302 . . . . 74.340000000000003 110.809 -166.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -122.5 144.74 48.88 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.493 0.717 . . . . 75.409999999999997 110.855 177.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 9.5 t60 . . . . . 0 N--CA 1.484 1.234 0 C-N-CA 123.31 0.644 . . . . 72.140000000000001 110.241 -178.749 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.469 ' HA ' ' HE3' ' A' ' 1' ' ' MET . 5.4 mmt . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 113.11 0.781 . . . . 74.450000000000003 113.11 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -79.22 73.97 5.81 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-O 122.352 1.072 . . . . 73.299999999999997 111.185 -177.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.526 ' HB2' ' HG2' ' A' ' 6' ' ' GLU . 84.4 mtp -121.7 145.16 48.3 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.357 -1.292 . . . . 72.409999999999997 109.116 177.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.422 HD12 HG22 ' B' ' 64' ' ' ILE . 8.8 tt -53.25 -50.24 65.19 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.596 0.758 . . . . 74.400000000000006 111.659 -178.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.53 ' HZ3' ' HH2' ' A' ' 48' ' ' TRP . 63.6 tttm -55.96 -44.26 78.29 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.518 1.127 . . . . 72.209999999999994 112.495 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.526 ' HG2' ' HB2' ' A' ' 3' ' ' MET . 23.9 mm-40 -71.81 -47.64 51.95 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.148 0.579 . . . . 64.430000000000007 111.757 -175.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.7 ' HZ2' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -73.52 -20.98 60.52 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 116.33 -0.395 . . . . 54.530000000000001 111.722 -179.493 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.83 -38.07 89.27 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.123 0.569 . . . . 73.530000000000001 110.772 170.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.5 -35.47 81.53 Favored Glycine 0 CA--C 1.539 1.534 0 CA-C-N 115.791 -0.641 . . . . 73.030000000000001 113.8 173.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.05 80.53 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.253 0.621 . . . . 75.230000000000004 111.778 175.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.7 HD11 ' HZ2' ' A' ' 7' ' ' LYS . 75.6 mt -74.75 -32.63 62.14 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.86 0.864 . . . . 65.120000000000005 111.152 174.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.456 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -55.17 -41.28 71.66 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.619 0.768 . . . . 61.200000000000003 112.909 -178.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.37 -49.09 65.77 Favored Glycine 0 CA--C 1.534 1.249 0 CA-C-N 115.494 -0.776 . . . . 74.219999999999999 112.763 172.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -58.93 -53.4 58.84 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.907 0.883 . . . . 73.230000000000004 112.531 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.25 -39.29 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 C-N-CA 123.044 0.538 . . . . 75.519999999999996 110.551 -177.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -61.62 -43.09 99.52 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.018 0.527 . . . . 72.310000000000002 111.561 175.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.63 -23.34 67.03 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.959 0.904 . . . . 74.430000000000007 112.386 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.83 -40.71 63.12 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 122.464 0.306 . . . . 71.200000000000003 111.29 171.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.466 HD23 HG11 ' A' ' 66' ' ' VAL . 10.8 mp -82.45 -27.75 31.72 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 113.745 1.017 . . . . 75.519999999999996 113.745 -174.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -67.59 135.27 52.66 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 118.707 0.685 . . . . 70.310000000000002 112.124 -174.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.35 7.11 71.79 Favored Glycine 0 CA--C 1.54 1.625 0 CA-C-N 115.885 -0.598 . . . . 30.129999999999999 113.859 -175.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.5 m -122.02 157.61 30.98 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.289 1.036 . . . . 72.430000000000007 110.215 -175.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -69.74 -4.8 21.38 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 123.748 0.819 . . . . 73.519999999999996 112.366 175.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.407 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 112.1 155.98 13.02 Favored Glycine 0 C--N 1.343 0.926 0 C-N-CA 123.407 0.527 . . . . 73.040000000000006 111.808 -171.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.2 mt -130.9 160.01 35.74 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.138 0.494 . . . . 63.240000000000002 111.264 -176.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.1 p -86.72 165.45 16.07 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.228 -0.897 . . . . 71.329999999999998 110.158 171.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.444 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 17.3 pt20 -51.59 -43.74 62.57 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.209 0.604 . . . . 73.310000000000002 112.519 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -59.23 -47.7 84.37 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.105 0.962 . . . . 73.510000000000005 113.006 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -62.72 -42.01 99.45 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.177 0.591 . . . . 75.230000000000004 111.642 -178.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.7 mt -67.23 -38.72 81.54 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-N 115.06 -0.973 . . . . 72.239999999999995 111.379 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 27' ' ' GLN . 30.6 mtpp -56.79 -41.54 77.89 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 122.997 0.519 . . . . 73.400000000000006 111.818 175.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -68.91 -39.76 79.49 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.057 0.543 . . . . 75.230000000000004 111.68 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.84 -44.58 66.17 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 121.421 0.629 . . . . 65.5 111.803 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.8 p -82.51 -19.37 38.84 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 124.3 1.04 . . . . 63.520000000000003 112.357 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt 65.39 32.61 9.55 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.757 1.223 . . . . 74.439999999999998 111.997 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.8 mt -88.52 115.41 26.02 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.954 0.902 . . . . 74.120000000000005 110.16 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -70.41 -43.13 70.64 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.158 0.983 . . . . 75.319999999999993 110.987 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -95.39 141.92 28.38 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.031 0.532 . . . . 75.299999999999997 111.62 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -66.24 -24.55 66.61 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.522 0.729 . . . . 64.209999999999994 111.578 173.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -58.38 -36.13 73.04 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.876 0.871 . . . . 71.439999999999998 112.42 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -70.06 -36.91 75.32 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.051 0.54 . . . . 74.329999999999998 110.389 174.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -64.64 -41.74 95.94 Favored 'General case' 0 CA--C 1.555 1.165 0 CA-C-N 115.693 -0.685 . . . . 74.120000000000005 111.72 176.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -64.31 -37.13 86.41 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.207 0.603 . . . . 74.120000000000005 112.123 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.409 HD23 ' HG ' ' A' ' 4' ' ' LEU . 9.4 mp -70.44 -47.26 61.54 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.397 0.679 . . . . 74.420000000000002 111.358 176.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.434 ' O ' HD12 ' A' ' 49' ' ' LEU . . . -61.97 -55.14 29.87 Favored Glycine 0 C--N 1.352 1.423 0 CA-C-N 116.393 -0.367 . . . . 75.219999999999999 113.531 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.628 HD11 HG22 ' A' ' 66' ' ' VAL . 63.7 tp -58.28 -38.48 77.08 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.092 0.957 . . . . 72.319999999999993 111.903 175.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.55 -30.94 79.28 Favored Glycine 0 N--CA 1.472 1.089 0 CA-C-N 115.497 -0.774 . . . . 62.350000000000001 112.79 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.53 ' HH2' ' HZ3' ' A' ' 5' ' ' LYS . 30.4 t-105 -77.08 -24.5 51.88 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.336 0.654 . . . . 75.129999999999995 111.34 175.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.435 HD23 HG12 ' A' ' 55' ' ' VAL . 6.1 mp -72.78 -36.43 67.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.927 -0.483 . . . . 73.329999999999998 110.342 169.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.411 HD21 HG21 ' A' ' 55' ' ' VAL . 98.3 mt -67.41 -38.58 84.85 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 115.576 -0.738 . . . . 73.120000000000005 110.396 175.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.641 ' HB2' ' HB3' ' B' ' 51' ' ' ARG . 2.3 ppt_? -66.04 -30.06 70.53 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.326 0.65 . . . . 75.329999999999998 111.362 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -96.56 3.87 52.37 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 112.843 0.683 . . . . 75.420000000000002 112.843 176.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 64.49 15.64 9.73 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 124.259 1.023 . . . . 71.25 112.331 174.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -80.54 -9.28 59.78 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.462 0.705 . . . . 74.209999999999994 112.826 -172.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.494 HG11 HD23 ' A' ' 68' ' ' LEU . 35.8 m -137.29 162.13 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-O 121.456 0.646 . . . . 75.019999999999996 112.063 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.5 p -129.98 134.01 63.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 124.249 1.019 . . . . 72.530000000000001 110.226 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.4 p -111.27 132.98 53.94 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.785 0.834 . . . . 75.230000000000004 111.472 -172.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.7 t -122.88 158.67 29.84 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.288 1.035 . . . . 75.430000000000007 110.294 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -99.86 103.61 15.22 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.239 0.616 . . . . 75.430000000000007 109.441 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.3 t -108.42 107.35 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-O 121.13 0.49 . . . . 75.209999999999994 110.298 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 49.28 31.14 3.52 Favored 'General case' 0 CA--C 1.561 1.365 0 C-N-CA 126.058 1.743 . . . . 75.450000000000003 114.607 173.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.64 5.03 57.89 Favored Glycine 0 CA--C 1.539 1.541 0 N-CA-C 115.689 1.036 . . . . 63.149999999999999 115.689 176.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -126.3 161.28 28.15 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 118.743 1.272 . . . . 72.430000000000007 111.559 174.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 55.9 mt -77.64 113.21 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-N 115.674 -0.694 . . . . 74.430000000000007 111.344 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -106.58 132.15 52.92 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.562 -0.903 . . . . 74.329999999999998 108.562 167.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.628 HG22 HD11 ' A' ' 46' ' ' LEU . 8.0 p -139.83 150.48 22.05 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 C-N-CA 122.572 0.349 . . . . 75.430000000000007 111.627 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 20.6 ptmt -147.96 157.46 43.53 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.323 0.649 . . . . 71.120000000000005 111.113 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.494 HD23 HG11 ' A' ' 55' ' ' VAL . 60.1 mt -67.05 137.16 56.21 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.588 0.355 . . . . 74.420000000000002 111.648 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.7 t -76.93 86.48 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 N-CA-C 108.753 -0.832 . . . . 64.530000000000001 108.753 165.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.6 mt -76.5 129.37 36.4 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 116.115 -0.493 . . . . 71.510000000000005 110.338 177.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -65.49 89.88 0.1 Allowed 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 121.801 0.81 . . . . 73.219999999999999 112.41 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -94.2 171.15 9.01 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 115.0 -1.0 . . . . 73.019999999999996 110.217 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -69.52 120.2 14.94 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 109.704 -0.48 . . . . 65.120000000000005 109.704 170.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -58.38 98.66 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.716 0.769 . . . . 74.400000000000006 112.905 -169.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -84.91 69.75 10.81 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 115.573 -0.739 . . . . 74.439999999999998 110.337 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -145.85 -172.68 3.96 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.82 0.848 . . . . 73.329999999999998 110.833 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 19.7 p80 . . . . . 0 N--CA 1.478 0.952 0 C-N-CA 123.785 0.834 . . . . 72.450000000000003 110.359 175.174 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 CA--C 1.548 0.874 0 N-CA-C 111.952 0.352 . . . . 74.310000000000002 111.952 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.543 ' HB2' ' HZ2' ' B' ' 2' ' ' LYS . 10.0 mtmp? -75.31 77.65 2.41 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.216 0.531 . . . . 73.140000000000001 110.453 176.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.432 ' HB2' ' HB2' ' B' ' 6' ' ' GLU . 33.7 mmt -84.27 125.61 32.4 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.825 0.45 . . . . 74.430000000000007 110.329 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 mp -66.09 -20.37 66.14 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 121.319 0.58 . . . . 63.240000000000002 110.594 175.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -75.48 -35.18 60.89 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 123.969 0.908 . . . . 73.540000000000006 111.182 172.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' B' ' 3' ' ' MET . 11.1 tp10 -75.0 -47.25 30.1 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 122.799 0.44 . . . . 75.030000000000001 111.615 -175.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.477 ' HB2' ' HZ3' ' B' ' 7' ' ' LYS . 0.0 OUTLIER -55.22 -34.96 64.4 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.421 0.688 . . . . 75.140000000000001 111.408 175.648 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.86 -32.5 71.92 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.273 1.029 . . . . 63.409999999999997 111.64 -176.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.99 -40.16 44.18 Favored Glycine 0 CA--C 1.535 1.339 0 CA-C-N 115.041 -0.982 . . . . 62.520000000000003 113.888 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.11 -47.49 74.01 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.007 0.523 . . . . 72.200000000000003 111.474 175.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.89 -30.63 71.68 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.875 0.87 . . . . 73.319999999999993 111.514 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' B' ' 48' ' ' TRP . . . -58.25 -45.78 87.17 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.093 0.557 . . . . 73.230000000000004 112.027 175.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.19 -42.71 98.74 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.645 -0.707 . . . . 61.109999999999999 113.368 176.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -72.89 -37.55 67.24 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.618 0.767 . . . . 73.150000000000006 112.026 -176.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 68.4 mt -69.91 -47.08 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 C-N-CA 123.574 0.75 . . . . 74.420000000000002 111.389 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -66.01 -47.46 74.39 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 123.085 0.554 . . . . 75.209999999999994 111.178 -178.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -62.38 -30.02 70.9 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 112.523 0.564 . . . . 71.010000000000005 112.523 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.43 -30.15 71.19 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.871 0.468 . . . . 65.25 111.569 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.514 HD23 HG12 ' B' ' 30' ' ' ILE . 80.0 mt -93.44 -14.71 26.41 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 123.861 0.864 . . . . 72.209999999999994 112.536 178.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -65.12 120.59 12.96 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 122.707 0.403 . . . . 63.329999999999998 110.586 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.81 -33.52 6.5 Favored Glycine 0 CA--C 1.536 1.359 0 CA-C-N 115.693 -0.685 . . . . 61.32 113.142 -175.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 12.1 p -83.05 173.0 12.13 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.341 0.656 . . . . 65.109999999999999 111.443 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -81.51 1.32 34.0 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.981 0.512 . . . . 71.400000000000006 112.324 175.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.65 139.86 11.07 Favored Glycine 0 C--N 1.349 1.288 0 C-N-CA 123.028 0.346 . . . . 64.150000000000006 112.408 -173.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.465 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 83.8 mt -127.91 166.04 19.06 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 122.996 0.518 . . . . 71.230000000000004 111.702 -173.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' B' ' 65' ' ' PHE . 82.2 p -81.76 169.17 17.25 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 122.896 0.478 . . . . 74.519999999999996 111.078 178.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . 0.429 ' HB3' ' HB ' ' B' ' 64' ' ' ILE . 4.7 pt20 -53.52 -38.82 64.12 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.383 0.673 . . . . 74.430000000000007 112.494 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -61.48 -45.02 96.0 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.797 0.839 . . . . 73.099999999999994 111.509 178.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . 0.465 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 18.8 mm-40 -74.25 -28.23 61.12 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.613 0.765 . . . . 72.209999999999994 112.596 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.514 HG12 HD23 ' B' ' 19' ' ' LEU . 89.3 mt -72.48 -47.59 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 122.981 0.512 . . . . 65.340000000000003 110.558 175.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -59.99 -25.71 65.47 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.117 0.967 . . . . 72.530000000000001 111.808 173.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -68.7 -56.45 8.11 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 123.546 0.738 . . . . 72.209999999999994 110.798 172.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.06 -35.83 78.86 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 113.177 0.806 . . . . 65.219999999999999 113.177 -173.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 65.0 p -93.21 -13.0 28.89 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.71 0.804 . . . . 75.510000000000005 112.097 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm 67.88 19.2 9.55 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 125.048 1.339 . . . . 74.519999999999996 111.856 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -76.77 82.15 3.37 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.124 0.57 . . . . 74.329999999999998 110.447 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -67.22 -19.72 65.58 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.495 0.718 . . . . 75.530000000000001 112.408 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.59 135.4 33.51 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 109.781 -0.452 . . . . 61.329999999999998 109.781 172.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -64.18 -35.16 79.87 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.352 1.061 . . . . 72.209999999999994 111.621 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -57.38 -46.79 83.05 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.054 1.341 . . . . 71.120000000000005 113.107 -175.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.12 -32.74 74.42 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.647 0.779 . . . . 72.310000000000002 111.409 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -65.26 -48.21 74.03 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 116.027 -0.533 . . . . 65.049999999999997 111.259 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -63.37 -41.4 98.81 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 122.919 0.488 . . . . 72.530000000000001 112.219 -174.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -69.1 -44.56 72.21 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.166 0.586 . . . . 62.32 111.445 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . 0.447 ' O ' HD11 ' B' ' 49' ' ' LEU . . . -61.73 -46.02 95.06 Favored Glycine 0 N--CA 1.479 1.538 0 O-C-N 123.098 0.249 . . . . 73.420000000000002 112.903 175.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.04 -37.33 84.54 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.243 1.017 . . . . 73.430000000000007 111.814 177.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.24 -31.1 77.94 Favored Glycine 0 N--CA 1.474 1.194 0 CA-C-N 115.958 -0.565 . . . . 51.340000000000003 112.783 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' TRP . . . . . 0.44 ' HB3' ' HB3' ' B' ' 12' ' ' ALA . 8.8 t-105 -77.21 -30.59 54.77 Favored 'General case' 0 CA--C 1.561 1.369 0 C-N-CA 123.538 0.735 . . . . 74.120000000000005 111.153 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.63 HD21 HG12 ' B' ' 55' ' ' VAL . 5.2 mp -62.44 -30.78 71.48 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.022 0.439 . . . . 74.319999999999993 110.953 171.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 37.6 mt -70.45 -34.98 73.07 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-N 115.498 -0.774 . . . . 75.219999999999999 112.368 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.641 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 8.3 ptp180 -62.61 -35.6 80.08 Favored 'General case' 0 N--CA 1.504 2.258 0 N-CA-C 113.16 0.8 . . . . 70.209999999999994 113.16 -178.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.634 ' HG3' ' HG3' ' B' ' 51' ' ' ARG . 46.7 mt-10 -94.61 -8.34 38.33 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.812 0.445 . . . . 74.219999999999999 111.188 -177.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 63.94 28.26 14.47 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.229 1.012 . . . . 74.209999999999994 110.617 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.426 ' HD2' ' HB2' ' B' ' 52' ' ' GLU . 15.6 ptmt -84.99 -3.24 58.7 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.897 0.879 . . . . 74.329999999999998 112.066 -171.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.63 HG12 HD21 ' B' ' 49' ' ' LEU . 34.4 m -133.35 158.41 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 C-N-CA 123.411 0.684 . . . . 71.209999999999994 112.544 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 79.6 t -110.37 124.24 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.984 0.914 . . . . 64.439999999999998 109.407 167.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 76.0 p -104.27 133.36 49.32 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.891 0.476 . . . . 75.310000000000002 109.995 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 77.4 p -141.31 161.94 36.68 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.303 0.641 . . . . 75.319999999999993 110.401 -177.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -105.62 106.86 17.56 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.049 0.94 . . . . 75.200000000000003 110.009 -174.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 79.4 t -118.14 106.99 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 CA-C-O 120.843 0.354 . . . . 54.240000000000002 110.177 175.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 50.38 38.69 18.65 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 125.52 1.528 . . . . 72.329999999999998 113.174 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.72 -22.31 39.91 Favored Glycine 0 CA--C 1.543 1.787 0 CA-C-N 115.649 -0.705 . . . . 63.219999999999999 114.276 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -83.38 142.94 30.65 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.694 0.759 . . . . 75.409999999999997 112.914 -178.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . 0.429 ' HB ' ' HB3' ' B' ' 27' ' ' GLN . 67.3 mt -74.71 97.3 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 CA-C-N 114.453 -1.248 . . . . 72.540000000000006 110.309 173.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' PHE . . . . . 0.459 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 17.0 t80 -90.88 106.43 18.51 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.571 0.748 . . . . 75.120000000000005 110.34 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 39.9 t -106.46 117.21 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.462 0.705 . . . . 64.140000000000001 111.121 -174.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.41 ' HZ2' ' HB2' ' B' ' 67' ' ' LYS . 8.9 mtmp? -109.0 165.19 11.77 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.837 0.855 . . . . 71.5 109.473 174.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 25.1 mt -99.62 140.09 34.32 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-N 118.393 0.542 . . . . 74.209999999999994 110.918 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 98.2 t -71.18 88.42 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 CA-C-O 121.426 0.632 . . . . 74.310000000000002 109.616 171.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.442 ' H ' HD21 ' B' ' 70' ' ' LEU . 2.1 pt? -66.99 86.7 0.14 Allowed 'General case' 0 CA--C 1.562 1.439 0 CA-C-N 115.135 -0.939 . . . . 75.409999999999997 110.694 176.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -71.45 106.98 4.15 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 121.628 0.728 . . . . 74.129999999999995 111.711 -176.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -129.58 93.97 3.66 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 108.034 -1.099 . . . . 70.409999999999997 108.034 171.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -73.07 75.19 1.23 Allowed 'General case' 0 CA--C 1.56 1.34 0 CA-C-O 121.996 0.903 . . . . 74.140000000000001 111.876 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -85.4 83.47 7.94 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 115.473 -0.785 . . . . 73.299999999999997 112.011 -174.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -75.78 -22.83 56.03 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 116.089 -0.505 . . . . 61.530000000000001 110.961 170.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 53.6 t60 61.17 35.89 18.28 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.652 1.181 . . . . 65.420000000000002 111.579 174.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 19.3 t60 . . . . . 0 N--CA 1.473 0.687 0 C-N-CA 123.675 0.79 . . . . 74.239999999999995 110.228 -178.234 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 112.432 0.53 . . . . 74.200000000000003 112.432 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.5 tptt 63.59 16.31 9.56 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 124.767 1.227 . . . . 74.530000000000001 112.353 176.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.29 148.4 22.91 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.531 0.732 . . . . 75.230000000000004 110.589 -172.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.502 HD13 ' HD3' ' A' ' 7' ' ' LYS . 34.7 tp -54.86 -30.14 57.11 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 123.897 0.879 . . . . 64.310000000000002 111.797 174.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -65.99 -40.49 91.21 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 124.128 0.971 . . . . 74.540000000000006 112.275 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.16 -51.71 68.42 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.478 0.711 . . . . 64.329999999999998 111.683 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.57 ' HZ3' ' HB2' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -66.32 -42.61 87.99 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.841 -0.618 . . . . 75.230000000000004 111.313 177.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 7' ' ' LYS . . . -63.57 -32.48 73.96 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.52 0.728 . . . . 70.230000000000004 111.429 -176.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.89 -33.08 58.12 Favored Glycine 0 CA--C 1.536 1.405 0 CA-C-N 114.995 -1.002 . . . . 65.530000000000001 113.386 176.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.71 -39.42 64.35 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.348 0.659 . . . . 72.310000000000002 111.123 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.414 HD22 ' NE2' ' A' ' 14' ' ' GLN . 91.3 mt -65.38 -36.34 83.68 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.78 0.832 . . . . 72.319999999999993 110.287 173.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.97 -45.24 87.05 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.705 0.802 . . . . 74.099999999999994 111.93 174.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.43 -40.41 97.58 Favored Glycine 0 CA--C 1.54 1.604 0 CA-C-N 115.73 -0.668 . . . . 62.130000000000003 113.549 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.414 ' NE2' HD22 ' A' ' 11' ' ' LEU . 49.8 mt-30 -69.57 -46.11 67.12 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.736 0.814 . . . . 74.120000000000005 111.942 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.649 HG22 HG22 ' A' ' 30' ' ' ILE . 68.1 mt -68.03 -38.43 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 123.969 0.908 . . . . 74.519999999999996 111.645 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -64.14 -46.08 85.66 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 122.791 0.436 . . . . 75.150000000000006 110.893 173.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -63.2 -26.27 68.72 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 112.63 0.604 . . . . 74.239999999999995 112.63 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.01 84.84 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 121.093 0.473 . . . . 54.539999999999999 110.584 171.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.48 -22.02 57.57 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.182 0.993 . . . . 73.340000000000003 112.24 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -76.76 126.66 31.36 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.185 0.594 . . . . 62.350000000000001 109.649 -178.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.28 -4.06 66.91 Favored Glycine 0 CA--C 1.538 1.472 0 CA-C-N 116.217 -0.447 . . . . 53.130000000000003 112.945 -170.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.3 p -126.67 168.63 14.09 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.93 0.892 . . . . 73.340000000000003 110.281 174.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -100.59 7.81 43.79 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.111 0.565 . . . . 73.219999999999999 111.81 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.71 136.05 2.72 Favored Glycine 0 C--N 1.35 1.342 0 N-CA-C 113.885 0.314 . . . . 64.420000000000002 113.885 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 84.2 mt -132.18 160.24 36.67 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.598 1.159 . . . . 74.200000000000003 110.268 177.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.3 p -88.59 -178.0 5.71 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.339 0.655 . . . . 72.109999999999999 111.161 171.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -56.11 -48.19 76.64 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.698 0.399 . . . . 65.230000000000004 111.891 176.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -49.99 75.57 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.576 0.75 . . . . 71.349999999999994 111.987 -178.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.466 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 51.4 mt-30 -61.46 -35.33 77.31 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.613 0.765 . . . . 71.109999999999999 112.332 -174.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.649 HG22 HG22 ' A' ' 15' ' ' ILE . 76.5 mt -74.81 -49.8 28.02 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 C-N-CA 123.154 0.582 . . . . 74.019999999999996 111.345 173.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -56.74 -27.19 58.85 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 124.817 1.247 . . . . 75.400000000000006 111.873 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -67.92 -52.72 32.93 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.51 1.124 . . . . 75.25 111.524 172.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.16 -40.17 82.4 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.484 0.714 . . . . 54.119999999999997 112.181 -176.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.7 p -84.28 -26.36 28.63 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.446 1.098 . . . . 63.0 112.143 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt 59.83 37.73 21.7 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 124.662 1.185 . . . . 74.129999999999995 112.172 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.522 ' HB3' ' HB2' ' A' ' 41' ' ' ASP . 94.1 mt -68.36 124.02 22.37 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.539 -0.755 . . . . 75.450000000000003 109.994 174.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -55.05 -34.99 64.01 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.091 0.956 . . . . 73.519999999999996 113.303 -170.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.95 174.21 10.87 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.746 0.818 . . . . 74.5 111.341 -176.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.51 -33.07 75.03 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 114.796 -1.093 . . . . 74.209999999999994 111.272 170.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -55.13 -43.34 74.03 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.873 1.269 . . . . 75.109999999999999 112.538 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.522 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 2.9 m-20 -62.32 -38.46 89.53 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 124.235 1.014 . . . . 65.109999999999999 110.449 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -65.68 -39.98 91.88 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 114.801 -1.09 . . . . 75.340000000000003 112.267 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.469 ' CE2' ' HD2' ' B' ' 40' ' ' LYS . 43.7 m-85 -66.56 -33.29 75.35 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 112.551 0.575 . . . . 75.420000000000002 112.551 -178.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.9 mp -66.91 -39.38 87.38 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.229 0.612 . . . . 72.430000000000007 111.44 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.637 ' HA3' HD11 ' A' ' 15' ' ' ILE . . . -76.15 -53.32 5.74 Favored Glycine 0 CA--C 1.537 1.435 0 CA-C-N 116.325 -0.398 . . . . 62.329999999999998 113.345 177.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.34 -36.34 77.75 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 123.85 0.86 . . . . 75.25 112.053 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.36 -30.57 78.21 Favored Glycine 0 N--CA 1.477 1.375 0 CA-C-N 115.258 -0.883 . . . . 64.439999999999998 112.066 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.605 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 7.3 t-105 -71.21 -44.4 65.46 Favored 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 123.316 0.646 . . . . 74.109999999999999 110.504 172.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.495 HD22 HG12 ' A' ' 55' ' ' VAL . 6.2 mp -58.06 -29.5 65.45 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.247 0.619 . . . . 74.239999999999995 111.957 177.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.2 mt -71.02 -43.75 67.28 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.297 0.639 . . . . 74.129999999999995 112.649 171.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.605 ' HE ' ' HA ' ' A' ' 48' ' ' TRP . 12.9 ptp180 -59.78 -29.03 67.92 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 113.58 0.955 . . . . 73.530000000000001 113.58 -170.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -99.78 -6.8 26.37 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.847 0.859 . . . . 74.239999999999995 112.853 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 61.23 46.43 7.95 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.832 0.853 . . . . 61.329999999999998 109.945 -168.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -93.58 -15.67 25.17 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 114.886 -1.052 . . . . 73.430000000000007 111.053 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.495 HG12 HD22 ' A' ' 49' ' ' LEU . 35.3 m -137.22 165.74 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 C-N-CA 123.772 0.829 . . . . 75.420000000000002 112.067 173.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.1 t -112.22 124.91 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 124.079 0.952 . . . . 73.450000000000003 109.212 169.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.5 p -112.58 133.81 54.43 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.294 0.638 . . . . 73.319999999999993 110.394 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 64.2 m -135.05 154.62 51.64 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.501 1.121 . . . . 75.310000000000002 110.187 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -97.84 107.1 19.52 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.41 0.684 . . . . 74.340000000000003 109.375 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 64.8 t -115.35 108.77 26.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.644 0.778 . . . . 74.150000000000006 109.861 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 54.03 32.51 15.7 Favored 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 124.796 1.239 . . . . 71.140000000000001 113.174 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.11 -25.64 23.04 Favored Glycine 0 CA--C 1.543 1.786 0 CA-C-N 116.197 -0.456 . . . . 74.140000000000001 114.196 -176.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -77.04 142.91 39.65 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.299 1.04 . . . . 74.450000000000003 111.715 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.9 mt -80.04 101.03 4.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 N-CA-C 109.257 -0.646 . . . . 71.519999999999996 109.257 169.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -88.76 142.64 27.5 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.329 0.652 . . . . 73.540000000000006 109.513 171.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.0 p -139.73 146.57 25.03 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 C-N-CA 123.131 0.573 . . . . 75.219999999999999 111.125 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -139.71 178.5 7.19 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.779 0.831 . . . . 63.030000000000001 109.637 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.1 mt -90.58 168.79 11.54 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 122.449 1.118 . . . . 71.329999999999998 113.903 -176.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.441 HG12 ' HE2' ' A' ' 75' ' ' HIS . 23.2 t -110.48 134.95 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 113.637 -1.62 . . . . 73.239999999999995 110.846 175.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.74 -51.72 6.59 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.794 0.837 . . . . 72.010000000000005 109.317 171.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.9 179.29 8.36 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.483 0.713 . . . . 74.219999999999999 111.036 -176.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -100.34 58.52 0.97 Allowed 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.154 0.582 . . . . 71.25 111.183 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -133.56 -38.32 0.92 Allowed 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 123.152 0.581 . . . . 74.420000000000002 112.085 175.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -89.37 32.48 0.85 Allowed 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 112.739 0.644 . . . . 72.519999999999996 112.739 -174.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.441 ' HE2' HG12 ' A' ' 69' ' ' VAL . 18.9 m-70 -133.11 30.94 3.9 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 123.835 0.854 . . . . 73.040000000000006 109.151 177.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -61.04 -23.84 65.74 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 124.119 0.968 . . . . 71.319999999999993 113.55 -168.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 11.7 p80 . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 121.93 0.871 . . . . 73.019999999999996 111.44 175.859 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 CA--C 1.546 0.824 0 CA-C-O 121.013 0.435 . . . . 74.230000000000004 111.301 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -112.78 38.0 2.92 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.572 0.749 . . . . 71.219999999999999 109.949 174.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 12.6 tpt -55.86 123.88 15.72 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.942 0.897 . . . . 73.409999999999997 112.347 -172.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 mp -65.66 -20.47 66.31 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 123.294 0.638 . . . . 73.409999999999997 111.592 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.435 ' HE2' ' HH2' ' B' ' 48' ' ' TRP . 20.5 tptm -62.17 -55.96 23.52 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.948 0.899 . . . . 73.439999999999998 111.704 167.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -78.9 -35.42 43.58 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 112.906 0.706 . . . . 73.310000000000002 112.906 -168.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.595 ' HZ1' HD13 ' B' ' 11' ' ' LEU . 0.0 OUTLIER -60.89 -31.6 71.08 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 117.727 0.239 . . . . 72.0 111.245 178.544 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.92 80.57 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.27 0.628 . . . . 75.319999999999993 111.579 173.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.09 -32.09 63.49 Favored Glycine 0 CA--C 1.543 1.804 0 CA-C-N 115.808 -0.633 . . . . 73.140000000000001 114.322 175.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.82 -41.81 67.74 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.197 0.599 . . . . 61.130000000000003 111.219 176.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.595 HD13 ' HZ1' ' B' ' 7' ' ' LYS . 41.6 mt -62.33 -39.87 94.51 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.309 1.044 . . . . 75.239999999999995 110.571 172.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.415 ' HB1' ' HB3' ' B' ' 48' ' ' TRP . . . -58.62 -38.73 78.64 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.137 0.975 . . . . 74.230000000000004 112.283 176.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.98 -44.0 98.73 Favored Glycine 0 CA--C 1.536 1.388 0 CA-C-N 115.788 -0.642 . . . . 73.200000000000003 113.01 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.568 HE21 ' HA ' ' B' ' 11' ' ' LEU . 47.3 mt-30 -62.69 -47.28 84.31 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.437 0.695 . . . . 74.439999999999998 111.515 177.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' B' ' 42' ' ' PHE . 74.2 mt -67.81 -36.06 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 123.788 0.835 . . . . 73.109999999999999 111.619 -177.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -63.75 -49.02 74.66 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.725 0.41 . . . . 74.420000000000002 110.106 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.94 -33.45 71.92 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.965 0.506 . . . . 73.219999999999999 111.711 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.0 93.01 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.822 0.849 . . . . 53.109999999999999 112.239 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.497 HD23 HG13 ' B' ' 66' ' ' VAL . 9.9 mp -86.52 -13.99 44.32 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.612 0.765 . . . . 63.149999999999999 111.856 177.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -73.11 129.79 38.86 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.331 0.652 . . . . 74.230000000000004 111.095 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.75 1.77 90.59 Favored Glycine 0 CA--C 1.543 1.793 0 N-CA-C 114.359 0.504 . . . . 72.140000000000001 114.359 -178.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.3 p -124.15 169.39 11.76 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.776 0.83 . . . . 75.319999999999993 110.333 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -9.57 59.31 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.252 1.021 . . . . 74.400000000000006 113.244 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.522 ' HA3' ' HG2' ' B' ' 67' ' ' LYS . . . 122.51 143.23 6.4 Favored Glycine 0 N--CA 1.484 1.855 0 CA-C-N 117.83 0.287 . . . . 71.400000000000006 113.032 -179.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mp -127.33 162.73 25.58 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.176 0.59 . . . . 74.450000000000003 111.9 -172.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 70.1 p -87.85 162.92 16.68 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.571 0.749 . . . . 72.540000000000006 110.248 169.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -51.25 -44.86 61.86 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 114.592 1.331 . . . . 74.049999999999997 114.592 -169.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.591 ' HB3' ' HZ3' ' B' ' 28' ' ' LYS . 8.9 mtpm? -65.91 -39.49 90.61 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 123.149 0.579 . . . . 75.040000000000006 112.175 178.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -66.64 -32.67 74.14 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.697 0.799 . . . . 72.329999999999998 111.393 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.401 HG22 HG21 ' B' ' 15' ' ' ILE . 64.1 mt -70.57 -44.69 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.28 0.632 . . . . 73.519999999999996 110.464 174.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.538 ' HB3' ' HZ3' ' B' ' 31' ' ' LYS . 9.2 mtpm? -60.44 -26.05 66.45 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.725 0.81 . . . . 71.510000000000005 111.976 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -66.2 -55.12 17.8 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.515 0.726 . . . . 72.299999999999997 111.572 170.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.92 -39.14 87.27 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.22 0.608 . . . . 72.430000000000007 112.175 -176.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 72.1 p -78.69 -21.14 48.63 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.222 1.009 . . . . 75.349999999999994 111.795 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp 64.9 27.87 12.75 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 124.866 1.266 . . . . 63.340000000000003 111.59 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 83.1 mt -83.85 125.87 32.4 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.79 0.836 . . . . 75.200000000000003 110.377 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -78.41 -49.01 14.27 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.282 0.633 . . . . 74.219999999999999 110.653 176.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.48 129.48 35.77 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.174 0.59 . . . . 72.129999999999995 111.797 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.13 -27.22 68.58 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.704 0.802 . . . . 61.130000000000003 111.606 172.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.469 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 26.0 mmtp -70.55 -40.51 73.34 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.737 0.815 . . . . 75.219999999999999 111.568 -171.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.32 -33.37 75.67 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 123.125 0.57 . . . . 54.539999999999999 111.134 172.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.431 ' HA ' HD13 ' B' ' 15' ' ' ILE . 39.0 t80 -64.54 -41.04 96.61 Favored 'General case' 0 CA--C 1.563 1.463 0 C-N-CA 122.901 0.48 . . . . 75.420000000000002 111.478 171.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -68.61 -39.31 80.91 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 111.923 0.342 . . . . 75.409999999999997 111.923 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.25 -40.89 90.49 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.346 0.658 . . . . 74.310000000000002 111.105 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . 0.428 ' O ' HD12 ' B' ' 49' ' ' LEU . . . -67.35 -48.75 56.4 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 116.288 -0.415 . . . . 62.140000000000001 113.437 176.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.55 -31.53 72.79 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.802 0.841 . . . . 73.329999999999998 111.459 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.06 -31.34 79.08 Favored Glycine 0 N--CA 1.475 1.235 0 CA-C-N 115.409 -0.814 . . . . 55.340000000000003 112.388 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' TRP . . . . . 0.435 ' HH2' ' HE2' ' B' ' 5' ' ' LYS . 31.2 t-105 -74.54 -32.12 62.34 Favored 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 123.58 0.752 . . . . 73.519999999999996 111.157 175.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.58 HD23 HG12 ' B' ' 55' ' ' VAL . 6.4 mp -63.94 -31.69 72.96 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.091 0.557 . . . . 75.450000000000003 111.202 171.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.11 -41.48 81.69 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.557 0.743 . . . . 71.200000000000003 112.424 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.459 ' HD3' ' HG3' ' B' ' 52' ' ' GLU . 0.0 OUTLIER -71.97 -16.23 62.08 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 113.086 0.772 . . . . 70.230000000000004 113.086 -177.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.459 ' HG3' ' HD3' ' B' ' 51' ' ' ARG . 42.6 mt-10 -102.64 -16.29 16.1 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.968 0.507 . . . . 75.219999999999999 111.732 172.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 61.01 35.26 19.01 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.104 0.961 . . . . 73.109999999999999 112.144 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -82.57 -2.13 52.8 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 116.158 -0.474 . . . . 64.310000000000002 110.746 176.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.58 HG12 HD23 ' B' ' 49' ' ' LEU . 29.4 m -135.03 159.53 41.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 N-CA-C 113.132 0.79 . . . . 60.520000000000003 113.132 178.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.6 HG23 ' HA ' ' B' ' 69' ' ' VAL . 73.3 t -113.47 123.27 68.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 114.672 -1.149 . . . . 63.119999999999997 108.386 163.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 36.1 p -106.82 144.87 32.85 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.894 0.878 . . . . 63.350000000000001 111.298 -176.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 96.9 p -152.12 172.62 16.06 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.277 1.031 . . . . 73.430000000000007 109.866 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -119.88 113.66 20.9 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 109.529 -0.545 . . . . 74.120000000000005 109.529 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.0 t -123.0 119.7 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.37 1.068 . . . . 75.150000000000006 110.167 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 50.22 35.25 10.03 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 125.576 1.55 . . . . 74.219999999999999 113.997 176.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.28 4.7 70.87 Favored Glycine 0 CA--C 1.543 1.797 0 N-CA-C 115.078 0.791 . . . . 71.430000000000007 115.078 176.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -119.79 159.32 24.79 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.742 0.817 . . . . 73.329999999999998 111.579 174.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 57.4 mt -79.54 107.63 12.18 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 CA-C-N 116.049 -0.523 . . . . 74.140000000000001 109.843 172.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -99.05 125.6 44.58 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.293 0.637 . . . . 75.420000000000002 109.679 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.497 HG13 HD23 ' B' ' 19' ' ' LEU . 4.0 p -139.71 144.79 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.411 0 N-CA-C 112.34 0.496 . . . . 74.420000000000002 112.34 -174.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.522 ' HG2' ' HA3' ' B' ' 24' ' ' GLY . 51.5 mtmt -128.62 161.01 30.64 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 124.38 1.072 . . . . 73.099999999999994 109.819 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.448 HD23 HG11 ' B' ' 55' ' ' VAL . 72.0 mt -80.17 65.95 5.5 Favored 'General case' 0 N--CA 1.5 2.039 0 CA-C-N 119.151 0.887 . . . . 73.430000000000007 111.38 175.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.6 ' HA ' HG23 ' B' ' 56' ' ' VAL . 11.1 t 49.63 27.79 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.223 0 C-N-CA 124.879 1.272 . . . . 74.140000000000001 111.989 -174.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 70.4 mt -73.57 98.22 2.78 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.701 0.801 . . . . 73.209999999999994 110.612 -175.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 62.48 86.47 0.11 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.186 1.394 . . . . 72.420000000000002 111.471 -177.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -83.82 100.01 10.68 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 109.398 -0.593 . . . . 75.439999999999998 109.398 173.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -135.24 176.07 9.01 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.854 0.862 . . . . 74.510000000000005 110.678 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -78.17 121.11 23.91 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 122.986 0.515 . . . . 74.019999999999996 110.342 172.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -67.41 139.53 57.13 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.17 0.588 . . . . 74.430000000000007 111.45 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -86.3 171.6 11.1 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.63 0.772 . . . . 74.049999999999997 111.597 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 30.0 m80 . . . . . 0 N--CA 1.482 1.173 0 C-N-CA 123.37 0.668 . . . . 73.439999999999998 110.931 -177.204 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 ptt? . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 110.445 -0.206 . . . . 73.530000000000001 110.445 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -162.69 -24.25 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 112.687 0.625 . . . . 74.329999999999998 112.687 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.474 ' HB2' ' HG1' ' B' ' 57' ' ' THR . 23.1 ptp -154.21 156.39 37.0 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 113.038 0.755 . . . . 74.129999999999995 113.038 -176.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.61 -22.58 66.68 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.459 1.104 . . . . 73.230000000000004 111.975 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -68.44 -36.96 79.78 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.437 0.695 . . . . 75.310000000000002 111.299 173.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.407 ' H ' ' HG3' ' A' ' 3' ' ' MET . 23.7 tt0 -71.94 -49.45 37.42 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.483 0.313 . . . . 71.140000000000001 111.626 -174.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.439 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -63.66 -25.23 68.12 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 111.74 0.274 . . . . 61.539999999999999 111.74 179.227 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.85 95.03 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.046 0.538 . . . . 71.450000000000003 110.718 171.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.04 -35.24 64.6 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 115.186 -0.915 . . . . 75.040000000000006 113.697 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.19 -43.51 97.99 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.336 0.655 . . . . 73.420000000000002 112.043 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 75.5 mt -77.19 -18.81 57.47 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.476 0.71 . . . . 73.099999999999994 111.953 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.39 -53.27 60.08 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.218 0.607 . . . . 75.140000000000001 112.539 177.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.34 -42.03 81.69 Favored Glycine 0 CA--C 1.54 1.629 0 N-CA-C 115.081 0.792 . . . . 33.229999999999997 115.081 -178.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -74.48 -36.03 63.27 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 122.855 0.462 . . . . 73.209999999999994 112.191 -177.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.533 HG22 HG23 ' A' ' 30' ' ' ILE . 68.8 mt -67.9 -41.88 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 C-N-CA 122.79 0.436 . . . . 75.319999999999993 110.303 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.466 ' CD1' ' HE2' ' A' ' 54' ' ' LYS . 80.9 t90 -57.22 -47.27 81.75 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.444 0.698 . . . . 73.209999999999994 110.856 175.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -64.88 -30.27 71.26 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.94 0.896 . . . . 65.129999999999995 113.093 177.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.82 -37.73 87.02 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-O 121.108 0.48 . . . . 75.400000000000006 110.885 174.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.52 ' HA ' HD11 ' A' ' 25' ' ' LEU . 8.4 mp -81.24 -25.77 36.38 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.992 0.917 . . . . 73.109999999999999 112.178 177.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -69.16 135.71 51.06 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 112.27 0.471 . . . . 71.319999999999993 112.27 -174.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.11 5.68 89.94 Favored Glycine 0 CA--C 1.538 1.517 0 CA-C-N 115.626 -0.715 . . . . 73.519999999999996 113.717 -175.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.3 m -124.94 160.68 28.33 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.993 0.917 . . . . 71.200000000000003 109.943 -177.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -86.08 -0.03 54.61 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.273 0.629 . . . . 74.409999999999997 112.377 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.39 139.2 4.16 Favored Glycine 0 C--N 1.353 1.487 0 N-CA-C 113.919 0.328 . . . . 71.019999999999996 113.919 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.52 HD11 ' HA ' ' A' ' 19' ' ' LEU . 5.4 mp -122.99 154.43 38.45 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.689 0.795 . . . . 73.439999999999998 110.105 178.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.8 p -91.06 163.19 14.39 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 109.565 -0.532 . . . . 74.239999999999995 109.565 167.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -54.4 -30.02 50.83 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.946 0.899 . . . . 73.109999999999999 113.383 -176.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -41.66 99.11 Favored 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 123.771 0.829 . . . . 73.319999999999993 112.275 175.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -76.94 -38.87 52.52 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.7 0.8 . . . . 70.519999999999996 112.744 -176.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.533 HG23 HG22 ' A' ' 15' ' ' ILE . 51.4 mt -62.55 -45.07 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 C-N-CA 123.378 0.671 . . . . 64.310000000000002 112.462 -173.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -65.07 -25.28 67.74 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.11 0.564 . . . . 73.319999999999993 112.358 -177.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -65.13 -49.75 68.73 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.527 0.731 . . . . 73.409999999999997 110.763 170.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.48 -33.05 70.81 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 115.457 -0.792 . . . . 72.310000000000002 112.568 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.2 p -94.11 -22.31 18.56 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.807 0.843 . . . . 75.420000000000002 112.67 -177.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt 69.16 23.04 6.54 Favored 'General case' 0 CA--C 1.571 1.776 0 C-N-CA 124.929 1.292 . . . . 74.150000000000006 112.31 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.4 mt -64.72 -38.97 92.8 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 112.638 0.607 . . . . 71.209999999999994 112.638 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm 70.51 -64.07 0.38 Allowed 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.961 1.304 . . . . 74.319999999999993 112.184 -175.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.431 ' HB3' ' HD3' ' A' ' 40' ' ' LYS . . . -70.83 133.12 46.23 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.396 0.678 . . . . 74.239999999999995 111.669 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -65.38 -29.3 69.99 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.141 0.576 . . . . 74.209999999999994 110.726 168.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.492 ' H ' ' HD2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -56.55 -56.34 22.48 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 124.89 1.276 . . . . 63.219999999999999 111.807 -176.801 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.22 -29.03 67.77 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.727 0.811 . . . . 73.340000000000003 110.888 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -64.4 -38.71 91.97 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-N 115.251 -0.886 . . . . 74.5 111.734 177.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -67.53 -34.27 76.74 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 122.792 0.437 . . . . 65.140000000000001 112.123 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -70.49 -43.28 70.04 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.804 0.442 . . . . 74.329999999999998 111.04 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.419 ' O ' HD12 ' A' ' 49' ' ' LEU . . . -66.92 -53.13 28.64 Favored Glycine 0 CA--C 1.539 1.577 0 CA-C-N 116.56 -0.291 . . . . 63.409999999999997 113.315 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.66 HD11 HG22 ' A' ' 66' ' ' VAL . 54.9 tp -65.8 -32.02 73.31 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.964 0.906 . . . . 75.430000000000007 111.629 178.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.43 -31.62 79.36 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-N 115.62 -0.718 . . . . 74.519999999999996 111.954 174.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -74.98 -25.7 59.03 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.007 0.523 . . . . 72.319999999999993 111.357 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.572 HD22 HG12 ' A' ' 55' ' ' VAL . 6.0 mp -64.87 -29.61 70.57 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 122.764 0.426 . . . . 74.450000000000003 111.462 169.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.8 mt -75.57 -34.08 60.66 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.286 0.634 . . . . 70.420000000000002 111.179 170.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.535 ' HD3' ' HA ' ' B' ' 51' ' ' ARG . 21.9 tpt180 -56.97 -42.09 79.54 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.516 0.727 . . . . 75.329999999999998 110.76 167.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 50.7 mt-10 -83.84 -19.65 34.54 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.059 0.543 . . . . 75.340000000000003 111.463 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 66.17 15.28 10.03 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 125.52 1.528 . . . . 61.009999999999998 111.847 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HE2' ' CD1' ' A' ' 16' ' ' TRP . 40.9 mtpt -80.83 3.48 22.39 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.186 0.994 . . . . 74.209999999999994 112.914 -176.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.572 HG12 HD22 ' A' ' 49' ' ' LEU . 23.8 m -130.22 150.6 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 114.331 1.234 . . . . 74.409999999999997 114.331 177.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 t -100.69 124.86 54.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.147 0 C-N-CA 125.068 1.347 . . . . 75.209999999999994 109.396 166.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.451 ' H ' ' HE2' ' B' ' 3' ' ' MET . 69.9 p -106.4 146.3 30.65 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 123.302 0.641 . . . . 71.25 111.866 -178.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -157.18 171.6 20.14 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 124.768 1.227 . . . . 70.540000000000006 110.063 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -118.12 122.48 43.19 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.114 0.566 . . . . 74.430000000000007 109.991 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 37.5 t -120.45 113.69 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 123.801 0.84 . . . . 74.409999999999997 109.96 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 53.43 41.21 32.14 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.528 1.531 . . . . 75.25 113.607 172.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.64 -0.12 84.6 Favored Glycine 0 CA--C 1.536 1.345 0 CA-C-N 115.484 -0.78 . . . . 72.040000000000006 115.0 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -117.57 155.4 29.87 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 117.693 0.747 . . . . 73.510000000000005 110.883 177.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.7 mt -75.72 109.36 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 123.609 0.764 . . . . 73.310000000000002 110.4 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -97.48 121.59 39.55 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.488 0.715 . . . . 74.329999999999998 109.449 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.66 HG22 HD11 ' A' ' 46' ' ' LEU . 7.3 p -137.31 144.41 31.82 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-O 121.437 0.637 . . . . 73.450000000000003 111.443 -177.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -140.3 176.9 8.39 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.915 0.886 . . . . 74.140000000000001 109.365 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.422 HD23 HG11 ' A' ' 55' ' ' VAL . 46.0 mt -85.77 156.93 20.4 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-O 121.325 0.583 . . . . 73.129999999999995 111.882 178.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.7 t -77.16 92.84 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 N-CA-C 108.556 -0.905 . . . . 74.340000000000003 108.556 168.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.58 ' H ' HD21 ' A' ' 70' ' ' LEU . 1.4 pt? -64.88 95.08 0.14 Allowed 'General case' 0 CA--C 1.56 1.363 0 CA-C-O 122.036 0.922 . . . . 73.340000000000003 112.105 -174.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -121.65 151.68 40.18 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.161 0.984 . . . . 75.540000000000006 109.961 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -75.44 12.17 1.06 Allowed 'General case' 0 CA--C 1.566 1.561 0 N-CA-C 114.632 1.345 . . . . 73.510000000000005 114.632 -173.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -79.6 115.8 19.43 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 118.308 0.504 . . . . 73.099999999999994 110.366 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -96.76 84.22 3.57 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-O 121.332 0.586 . . . . 75.109999999999999 109.445 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -152.72 125.37 8.32 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.188 -0.914 . . . . 73.340000000000003 109.574 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 65.22 91.22 0.08 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.846 1.258 . . . . 75.329999999999998 111.956 -172.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 121.894 0.854 . . . . 72.140000000000001 109.981 171.509 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.88 0 CA-C-O 121.1 0.476 . . . . 71.209999999999994 111.462 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.449 ' HD3' ' H ' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -122.94 91.85 3.58 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-O 122.508 1.147 . . . . 71.209999999999994 110.086 174.157 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.701 ' HB3' ' HG2' ' B' ' 6' ' ' GLU . 13.5 tpt -71.88 125.05 26.2 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.508 -0.769 . . . . 64.109999999999999 109.19 172.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.91 -17.44 56.71 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.178 0.591 . . . . 72.239999999999995 111.641 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -62.92 -48.2 79.95 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 124.039 0.936 . . . . 74.310000000000002 110.98 170.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.701 ' HG2' ' HB3' ' B' ' 3' ' ' MET . 11.9 mm-40 -69.99 -40.27 75.41 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.187 0.595 . . . . 74.200000000000003 110.675 -178.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -57.09 -49.96 74.24 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.163 0.985 . . . . 74.349999999999994 111.661 175.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.1 -37.23 66.58 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 115.067 -0.97 . . . . 52.530000000000001 111.212 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.15 -34.44 69.91 Favored Glycine 0 CA--C 1.538 1.506 0 CA-C-N 115.681 -0.691 . . . . 74.420000000000002 114.302 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.84 -47.27 72.5 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.387 0.675 . . . . 74.519999999999996 111.774 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.459 ' HA ' HE21 ' B' ' 14' ' ' GLN . 68.6 mt -67.74 -34.57 77.09 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.7 0.8 . . . . 73.099999999999994 111.202 176.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.41 ' HB3' ' HB3' ' B' ' 48' ' ' TRP . . . -58.49 -46.83 85.88 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.436 1.094 . . . . 62.340000000000003 113.411 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.64 -35.28 51.67 Favored Glycine 0 C--N 1.35 1.356 0 O-C-N 123.802 0.689 . . . . 64.120000000000005 113.578 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.459 HE21 ' HA ' ' B' ' 11' ' ' LEU . 36.4 mt-30 -70.3 -51.07 33.05 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.782 0.833 . . . . 74.519999999999996 111.343 176.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 62.1 mt -63.48 -40.39 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 123.727 0.811 . . . . 75.540000000000006 112.219 -174.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -58.9 -50.06 75.46 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.292 0.637 . . . . 73.040000000000006 110.552 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.11 -25.89 67.97 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.474 0.71 . . . . 75.209999999999994 112.472 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.95 -43.96 81.8 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.241 0.616 . . . . 71.430000000000007 111.077 172.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 80.2 mt -74.93 -20.76 59.56 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.604 0.762 . . . . 73.519999999999996 111.783 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -68.93 127.29 32.59 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.988 0.915 . . . . 73.010000000000005 110.811 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.14 3.72 84.76 Favored Glycine 0 CA--C 1.537 1.456 0 N-CA-C 114.028 0.371 . . . . 73.019999999999996 114.028 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 19.5 m -128.33 161.81 28.55 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.68 0.792 . . . . 74.530000000000001 110.461 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -79.52 23.09 0.42 Allowed 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 124.289 1.035 . . . . 65.010000000000005 112.266 176.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.34 150.31 23.71 Favored Glycine 0 C--N 1.348 1.198 0 C-N-CA 123.204 0.43 . . . . 55.5 112.604 -173.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.7 mt -123.3 155.18 37.75 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.537 0.735 . . . . 71.530000000000001 110.379 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 63.9 p -83.76 167.14 17.41 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.36 0.664 . . . . 74.230000000000004 109.633 170.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -57.55 -30.34 65.13 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 122.828 0.451 . . . . 74.349999999999994 111.662 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -61.14 -52.87 63.06 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.338 1.055 . . . . 72.209999999999994 111.816 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -70.47 -38.76 74.48 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.104 0.961 . . . . 73.510000000000005 112.323 -175.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 91.8 mt -61.08 -45.48 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 123.44 0.696 . . . . 73.439999999999998 110.911 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -55.89 -41.7 74.87 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 123.508 0.505 . . . . 74.150000000000006 112.353 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -70.98 -49.63 43.23 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 112.344 0.498 . . . . 73.5 112.344 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.12 -27.39 68.9 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.486 0.714 . . . . 72.219999999999999 112.697 -177.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 72.7 p -103.71 -20.07 14.09 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.975 0.91 . . . . 71.030000000000001 112.631 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 66.49 29.07 9.31 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.815 1.246 . . . . 71.439999999999998 112.289 -173.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt -75.32 127.72 33.79 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.866 0.467 . . . . 73.329999999999998 109.859 172.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -80.58 -27.78 37.34 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 113.344 0.868 . . . . 72.310000000000002 113.344 -169.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.96 158.13 43.43 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 121.435 0.636 . . . . 73.150000000000006 112.298 -173.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -60.96 -28.27 68.85 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 115.146 -0.934 . . . . 71.310000000000002 110.892 170.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -54.33 -45.96 72.79 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.71 1.204 . . . . 73.019999999999996 112.964 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -66.91 -36.61 82.66 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 121.652 0.739 . . . . 65.230000000000004 110.316 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -68.45 -44.51 74.71 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 114.452 -1.249 . . . . 75.019999999999996 112.352 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -66.22 -40.26 90.16 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 122.973 0.509 . . . . 74.530000000000001 112.373 -176.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mp -71.67 -43.24 66.37 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.961 0.505 . . . . 75.219999999999999 111.009 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . 0.419 ' O ' HD11 ' B' ' 49' ' ' LEU . . . -63.75 -53.33 38.72 Favored Glycine 0 CA--C 1.539 1.542 0 CA-C-N 116.416 -0.357 . . . . 73.219999999999999 113.123 176.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.04 -34.92 74.05 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 124.272 1.029 . . . . 73.219999999999999 111.93 176.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.56 -31.47 79.9 Favored Glycine 0 N--CA 1.475 1.242 0 CA-C-N 115.894 -0.594 . . . . 63.549999999999997 112.552 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' TRP . . . . . 0.41 ' HB3' ' HB3' ' B' ' 12' ' ' ALA . 55.2 t-105 -74.49 -35.76 63.25 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.683 0.793 . . . . 70.450000000000003 111.423 174.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.608 HD23 HG13 ' B' ' 55' ' ' VAL . 7.4 mp -62.39 -34.57 76.97 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.258 0.623 . . . . 64.519999999999996 110.98 172.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 81.9 mt -74.94 -36.49 62.12 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.78 0.832 . . . . 73.230000000000004 111.052 174.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.535 ' HA ' ' HD3' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -67.37 -31.88 72.42 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.85 0.46 . . . . 73.219999999999999 110.804 -179.694 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -99.2 -2.26 37.2 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.901 0.48 . . . . 70.200000000000003 111.549 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 t70 64.32 18.32 11.24 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 124.921 1.288 . . . . 75.150000000000006 112.335 172.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -73.56 -11.92 60.6 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.038 0.935 . . . . 72.0 112.951 -175.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.608 HG13 HD23 ' B' ' 49' ' ' LEU . 33.4 m -130.86 159.72 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-O 121.547 0.689 . . . . 72.319999999999993 111.972 -178.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -119.38 133.35 66.47 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 124.785 1.234 . . . . 64.209999999999994 109.776 172.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' THR . . . . . 0.474 ' HG1' ' HB2' ' A' ' 3' ' ' MET . 37.3 p -103.11 139.57 38.45 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.121 0.968 . . . . 71.319999999999993 111.631 -172.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 59.5 m -143.02 165.93 26.02 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.634 1.174 . . . . 75.540000000000006 109.488 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -121.7 120.51 34.89 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.289 -0.634 . . . . 74.439999999999998 109.289 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 38.7 t -103.75 107.1 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 108.898 -0.778 . . . . 71.030000000000001 108.898 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 49.57 39.71 17.75 Favored 'General case' 0 CA--C 1.563 1.462 0 C-N-CA 125.429 1.492 . . . . 75.430000000000007 113.229 173.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.79 10.2 53.13 Favored Glycine 0 CA--C 1.541 1.709 0 N-CA-C 116.135 1.214 . . . . 71.319999999999993 116.135 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -132.83 160.47 36.83 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 119.374 1.587 . . . . 71.209999999999994 112.735 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 65.1 mt -73.64 110.92 7.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 124.29 1.036 . . . . 73.129999999999995 111.092 -176.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -117.33 116.85 28.03 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.088 0.955 . . . . 74.010000000000005 109.598 176.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 33.3 t -122.35 148.86 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 123.005 0.522 . . . . 73.239999999999995 110.88 -175.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.8 157.16 43.94 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.29 0.636 . . . . 74.129999999999995 109.786 175.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.53 HD22 HG12 ' B' ' 55' ' ' VAL . 63.7 mt -67.73 155.19 39.83 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.488 0.315 . . . . 72.430000000000007 111.116 177.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.7 t -80.73 81.04 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 CA-C-O 121.389 0.614 . . . . 75.040000000000006 109.778 173.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 mp -75.1 -46.07 37.03 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 108.962 -0.755 . . . . 74.209999999999994 108.962 169.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 65.84 104.84 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.602 1.561 . . . . 73.430000000000007 112.763 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -154.87 14.31 0.41 Allowed 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 124.047 0.939 . . . . 75.409999999999997 109.267 172.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -114.15 -7.96 13.01 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.737 0.815 . . . . 74.239999999999995 112.248 -170.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -52.03 94.3 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 113.658 0.985 . . . . 74.319999999999993 113.658 -171.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -148.41 170.55 17.75 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.693 1.197 . . . . 73.099999999999994 110.133 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -73.32 96.03 2.25 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.396 0.678 . . . . 75.209999999999994 110.385 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 32.5 p80 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 121.507 0.67 . . . . 72.430000000000007 111.981 179.058 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 mmt . . . . . 0 N--CA 1.496 1.861 0 N-CA-C 112.244 0.461 . . . . 74.420000000000002 112.244 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm 66.85 13.36 9.39 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 125.057 1.343 . . . . 75.519999999999996 113.855 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 85.0 mtp -58.96 150.31 24.83 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 122.957 0.503 . . . . 65.150000000000006 111.898 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 tt -49.77 -41.05 43.3 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 124.229 1.012 . . . . 74.019999999999996 112.352 -173.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -69.22 -48.92 60.62 Favored 'General case' 0 CA--C 1.56 1.339 0 C-N-CA 123.392 0.677 . . . . 73.200000000000003 111.783 -177.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.93 -38.63 69.82 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 122.862 0.465 . . . . 74.420000000000002 112.003 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -32.02 64.13 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 122.753 0.421 . . . . 72.439999999999998 110.891 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.03 97.61 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.142 0.577 . . . . 74.439999999999998 111.154 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.27 -42.98 93.83 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-N 115.512 -0.767 . . . . 71.140000000000001 113.586 174.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.73 91.43 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.415 0.686 . . . . 72.450000000000003 112.359 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.8 mt -70.16 -27.65 64.71 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.806 0.842 . . . . 75.219999999999999 112.074 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.06 -42.43 85.46 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 113.33 0.863 . . . . 72.209999999999994 113.33 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.38 -53.21 36.21 Favored Glycine 0 CA--C 1.538 1.495 0 O-C-N 123.85 0.719 . . . . 72.319999999999993 114.875 -176.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.446 ' NE2' HD23 ' A' ' 36' ' ' LEU . 28.3 pt20 -69.27 -36.33 77.0 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.496 0.718 . . . . 65.25 112.493 -176.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.564 HG21 HG21 ' A' ' 30' ' ' ILE . 68.6 mt -65.19 -44.56 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 123.08 0.552 . . . . 75.329999999999998 110.423 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -59.49 -45.47 91.61 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-N 115.315 -0.857 . . . . 72.310000000000002 111.239 175.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.03 -25.93 65.63 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.735 0.814 . . . . 74.439999999999998 112.757 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.6 -30.37 68.11 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 122.998 0.519 . . . . 73.239999999999995 111.2 172.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.534 HD21 HD12 ' A' ' 30' ' ' ILE . 87.8 mt -88.1 -20.67 25.38 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.819 0.848 . . . . 71.340000000000003 112.003 176.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -70.57 123.38 21.7 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.841 0.456 . . . . 73.230000000000004 111.257 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.4 -15.42 63.3 Favored Glycine 0 CA--C 1.54 1.619 0 CA-C-N 115.929 -0.578 . . . . 73.120000000000005 114.131 -176.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.9 p -106.69 171.04 7.58 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.716 0.806 . . . . 72.120000000000005 111.335 -177.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -89.24 2.99 53.48 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 122.892 0.477 . . . . 74.439999999999998 111.952 175.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.516 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 113.28 144.53 9.01 Favored Glycine 0 C--N 1.349 1.305 0 N-CA-C 114.085 0.394 . . . . 64.219999999999999 114.085 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.558 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 2.7 mm? -126.92 166.54 17.32 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.329 1.052 . . . . 75.200000000000003 109.757 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.1 p -87.35 170.07 11.73 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 110.201 -0.296 . . . . 74.150000000000006 110.201 169.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -55.14 -37.25 66.7 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.014 0.526 . . . . 75.150000000000006 112.042 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -61.38 -44.38 97.26 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.84 1.256 . . . . 64.540000000000006 112.109 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.558 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 11.1 mm-40 -74.12 -39.52 63.29 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 115.509 -0.768 . . . . 73.200000000000003 111.101 -177.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.564 HG21 HG21 ' A' ' 15' ' ' ILE . 79.0 mt -65.2 -42.18 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 123.481 0.713 . . . . 65.510000000000005 111.79 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -54.04 -32.89 55.84 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 123.367 0.667 . . . . 74.540000000000006 112.307 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -70.81 -49.94 40.97 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.192 0.597 . . . . 64.310000000000002 111.234 174.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.79 76.54 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.041 0.936 . . . . 73.329999999999998 112.787 -175.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.6 p -101.68 -10.49 19.96 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.442 1.097 . . . . 75.439999999999998 112.447 -177.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt 68.95 25.35 6.04 Favored 'General case' 0 CA--C 1.571 1.75 0 C-N-CA 124.312 1.045 . . . . 74.120000000000005 111.468 176.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.446 HD23 ' NE2' ' A' ' 14' ' ' GLN . 68.5 mt -78.47 93.29 4.74 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.019 -0.537 . . . . 74.530000000000001 110.401 177.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -34.98 72.68 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.439 1.096 . . . . 73.319999999999993 112.261 -178.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -104.51 141.07 37.04 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.879 0.871 . . . . 71.140000000000001 110.419 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.56 -25.01 63.79 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.379 0.672 . . . . 73.319999999999993 110.381 172.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -53.02 -35.85 59.87 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.662 1.185 . . . . 71.400000000000006 112.596 169.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -67.59 -41.17 84.53 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-O 121.327 0.584 . . . . 72.129999999999995 110.236 174.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -71.2 -46.35 61.45 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.298 -0.864 . . . . 75.239999999999995 112.19 -174.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.95 -43.7 98.29 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 112.408 0.521 . . . . 74.400000000000006 112.408 -172.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 mp -73.59 -36.79 65.58 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.394 0.677 . . . . 74.400000000000006 111.047 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.429 ' O ' HD12 ' A' ' 49' ' ' LEU . . . -65.1 -46.39 88.6 Favored Glycine 0 CA--C 1.54 1.647 0 CA-C-N 116.701 -0.227 . . . . 64.209999999999994 112.656 172.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.7 tp -63.57 -33.82 76.44 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 124.802 1.241 . . . . 74.140000000000001 111.302 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.12 -31.53 81.03 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-N 115.344 -0.843 . . . . 55.32 112.319 176.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.419 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 15.5 t-105 -75.81 -34.03 60.14 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 123.398 0.679 . . . . 73.019999999999996 110.894 175.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.545 ' HA ' ' HD3' ' A' ' 54' ' ' LYS . 8.4 mp -62.12 -38.92 90.77 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.338 0.655 . . . . 75.439999999999998 111.837 172.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -75.9 -34.21 59.93 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.067 0.547 . . . . 74.099999999999994 110.992 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.509 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -63.59 -34.45 77.84 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.43 0.692 . . . . 70.329999999999998 112.276 -177.847 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.509 ' HG3' ' HG3' ' A' ' 51' ' ' ARG . 67.5 mt-10 -103.14 6.96 38.74 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 112.704 0.631 . . . . 71.319999999999993 112.704 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 63.1 28.46 16.08 Favored 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 124.046 0.938 . . . . 64.230000000000004 112.521 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.545 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 21.1 mtpp -71.51 -27.81 63.47 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.118 0.967 . . . . 74.239999999999995 111.033 -176.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.528 HG11 HD23 ' A' ' 68' ' ' LEU . 32.1 m -137.55 175.25 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 123.704 0.802 . . . . 74.040000000000006 111.789 -171.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -133.1 136.23 55.58 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 C-N-CA 124.621 1.168 . . . . 75.510000000000005 109.43 171.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.408 ' HG1' HD12 ' B' ' 4' ' ' LEU . 16.0 p -112.14 151.73 29.14 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.585 0.754 . . . . 74.120000000000005 111.189 -174.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.5 t -150.12 170.17 19.56 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.494 1.118 . . . . 73.120000000000005 109.91 -176.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -110.87 107.57 17.09 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.054 0.541 . . . . 71.299999999999997 110.301 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.547 HG12 ' HG2' ' A' ' 61' ' ' GLU . 54.4 t -110.92 117.17 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 123.732 0.813 . . . . 62.130000000000003 109.365 174.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.547 ' HG2' HG12 ' A' ' 60' ' ' VAL . 7.2 pt-20 46.86 43.54 13.46 Favored 'General case' 0 N--CA 1.5 2.034 0 C-N-CA 125.326 1.451 . . . . 70.420000000000002 113.937 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 73.94 15.85 79.59 Favored Glycine 0 CA--C 1.538 1.473 0 N-CA-C 114.606 0.602 . . . . 73.329999999999998 114.606 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -126.82 152.95 46.27 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.678 0.791 . . . . 74.409999999999997 110.501 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.7 mt -74.54 113.19 12.74 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 C-N-CA 123.083 0.553 . . . . 74.319999999999993 110.996 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -98.33 139.65 33.78 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.049 0.939 . . . . 73.209999999999994 109.091 169.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.5 p -140.85 147.17 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 122.593 0.357 . . . . 75.420000000000002 111.834 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.516 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 22.8 pttp -152.52 154.04 34.66 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.382 0.673 . . . . 74.510000000000005 110.141 175.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.528 HD23 HG11 ' A' ' 55' ' ' VAL . 38.7 mt -64.15 149.13 48.4 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 112.088 0.403 . . . . 74.140000000000001 112.088 -178.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.1 t -76.41 90.86 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 N-CA-C 109.159 -0.682 . . . . 74.409999999999997 109.159 170.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 pp -78.06 150.42 33.79 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 116.176 -0.466 . . . . 73.540000000000006 110.345 174.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -70.29 154.0 42.41 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 121.362 0.601 . . . . 75.219999999999999 111.967 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -149.15 164.86 33.5 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.368 1.067 . . . . 63.140000000000001 110.166 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -62.2 -31.45 71.98 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 113.584 0.957 . . . . 72.129999999999995 113.584 -169.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -151.12 120.38 6.8 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 122.834 0.454 . . . . 74.510000000000005 110.678 174.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -86.86 125.95 34.33 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 122.846 0.459 . . . . 74.239999999999995 111.007 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -77.93 99.94 6.21 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 121.344 0.593 . . . . 74.230000000000004 111.183 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 21.9 p80 . . . . . 0 N--CA 1.479 0.979 0 C-N-CA 124.047 0.939 . . . . 70.450000000000003 111.191 179.792 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 CA--C 1.55 0.962 0 CA-C-O 120.832 0.348 . . . . 72.239999999999995 111.132 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -82.79 154.51 24.69 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.664 0.785 . . . . 73.019999999999996 112.013 -175.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 30.9 mmt -81.19 167.48 19.58 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.025 0.93 . . . . 74.129999999999995 112.484 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.584 HD23 ' HD2' ' B' ' 7' ' ' LYS . 2.6 tm? -57.19 -35.85 70.12 Favored 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 124.931 1.292 . . . . 73.299999999999997 111.741 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.438 ' HG3' ' HZ3' ' B' ' 48' ' ' TRP . 38.6 ttmt -65.64 -39.81 91.82 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.078 0.551 . . . . 73.420000000000002 112.122 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.2 -41.12 77.53 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.381 0.673 . . . . 72.329999999999998 112.201 -174.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.584 ' HD2' HD23 ' B' ' 4' ' ' LEU . 0.0 OUTLIER -73.44 -27.07 61.23 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 122.515 0.326 . . . . 72.409999999999997 111.844 175.147 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.51 -38.57 91.49 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.127 0.571 . . . . 74.329999999999998 111.35 174.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.54 -32.72 84.2 Favored Glycine 0 CA--C 1.539 1.551 0 CA-C-N 115.724 -0.671 . . . . 70.430000000000007 113.874 174.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.05 -45.13 71.16 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.028 0.531 . . . . 71.140000000000001 111.508 174.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.39 -33.47 73.72 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.811 0.844 . . . . 73.209999999999994 111.48 176.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.09 -43.58 74.09 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.585 0.754 . . . . 71.239999999999995 112.191 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.46 -50.98 61.9 Favored Glycine 0 CA--C 1.533 1.206 0 CA-C-N 115.455 -0.793 . . . . 73.340000000000003 113.893 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -69.88 -33.7 72.57 Favored 'General case' 0 CA--C 1.557 1.232 0 N-CA-C 112.406 0.521 . . . . 73.420000000000002 112.406 -176.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.622 HG21 HG22 ' B' ' 30' ' ' ILE . 90.5 mt -67.79 -43.84 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 123.493 0.717 . . . . 65.230000000000004 111.047 177.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . 0.407 ' HE1' ' HG2' ' B' ' 54' ' ' LYS . 73.1 t90 -61.68 -43.42 98.89 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.266 0.627 . . . . 73.25 110.948 174.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -63.43 -37.79 88.63 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 123.952 0.901 . . . . 75.310000000000002 110.28 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.31 84.8 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.792 0.837 . . . . 74.5 111.607 175.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.525 HD23 HD12 ' B' ' 30' ' ' ILE . 85.3 mt -76.45 -24.75 53.92 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.883 0.873 . . . . 75.549999999999997 112.471 177.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -72.02 133.3 45.21 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 122.527 0.331 . . . . 74.120000000000005 110.623 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.77 -1.28 78.11 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 115.974 -0.557 . . . . 70.209999999999994 114.303 -176.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 32.8 p -122.32 169.53 10.84 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.52 0.728 . . . . 72.25 110.302 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -82.33 3.71 26.73 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.156 0.582 . . . . 73.5 111.513 173.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.13 153.26 8.34 Favored Glycine 0 C--N 1.348 1.199 0 C-N-CA 123.664 0.65 . . . . 71.140000000000001 112.107 -174.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.555 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 80.8 mt -134.62 154.39 51.52 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.944 0.897 . . . . 71.129999999999995 109.979 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 69.0 p -77.69 167.44 21.57 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.495 0.318 . . . . 71.439999999999998 110.269 171.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -57.47 -35.03 69.64 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 122.858 0.463 . . . . 75.120000000000005 112.179 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -67.79 -42.53 81.48 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.995 0.918 . . . . 73.299999999999997 111.591 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . 0.555 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 15.2 mm-40 -67.89 -37.0 81.21 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 120.801 0.334 . . . . 75.140000000000001 111.694 -178.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.622 HG22 HG21 ' B' ' 15' ' ' ILE . 60.8 mt -69.2 -42.61 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.184 0.594 . . . . 75.239999999999995 110.569 173.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -52.24 -45.88 65.5 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 125.133 1.373 . . . . 74.109999999999999 111.111 176.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -67.98 -46.65 70.75 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 114.295 -1.32 . . . . 73.140000000000001 111.369 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.58 -29.21 67.69 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.894 0.701 . . . . 74.019999999999996 112.894 -176.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 76.8 p -94.1 -15.98 24.21 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.791 0.836 . . . . 64.219999999999999 111.712 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt 65.22 27.96 12.13 Favored 'General case' 0 CA--C 1.568 1.662 0 C-N-CA 124.71 1.204 . . . . 75.450000000000003 111.705 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -71.61 137.09 47.69 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 115.613 -0.721 . . . . 75.400000000000006 110.701 177.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -82.61 -50.21 9.01 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.592 0.757 . . . . 75.5 110.935 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.81 134.73 40.57 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.506 0.722 . . . . 74.25 110.866 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.11 -23.78 67.24 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 124.165 0.986 . . . . 74.409999999999997 111.654 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -61.67 -35.16 77.19 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.088 0.955 . . . . 74.129999999999995 111.709 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.59 -37.51 87.82 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.1 0.56 . . . . 71.310000000000002 110.976 173.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -64.75 -45.29 87.08 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 115.819 -0.628 . . . . 63.420000000000002 111.47 173.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -65.03 -37.15 86.66 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 122.729 0.412 . . . . 73.230000000000004 111.824 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 mp -67.5 -45.97 74.3 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.337 1.055 . . . . 75.239999999999995 111.295 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . 0.476 ' HA3' HD13 ' B' ' 15' ' ' ILE . . . -68.08 -44.43 77.22 Favored Glycine 0 CA--C 1.537 1.468 0 CA-C-N 116.116 -0.493 . . . . 73.049999999999997 113.109 178.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 63.8 tp -64.49 -31.85 73.24 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.935 0.894 . . . . 75.319999999999993 111.219 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.87 -31.38 78.15 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-N 115.761 -0.654 . . . . 73.340000000000003 112.451 175.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' TRP . . . . . 0.467 ' O ' ' HG2' ' B' ' 52' ' ' GLU . 8.1 t-105 -75.53 -30.92 59.92 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.587 0.755 . . . . 64.019999999999996 111.079 175.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.538 HD23 HG12 ' B' ' 55' ' ' VAL . 6.4 mp -68.71 -33.37 73.83 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 123.125 0.57 . . . . 73.340000000000003 111.377 173.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 94.3 mt -71.72 -35.71 70.26 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.819 0.847 . . . . 74.150000000000006 110.845 171.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.448 ' HB2' ' HB2' ' A' ' 51' ' ' ARG . 19.8 ttt85 -56.64 -48.21 78.03 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.224 1.009 . . . . 74.400000000000006 111.643 172.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' B' ' 48' ' ' TRP . 25.5 mm-40 -78.37 -17.71 56.1 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.196 -0.456 . . . . 74.200000000000003 111.708 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.15 28.32 17.88 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 124.223 1.009 . . . . 71.349999999999994 110.586 -171.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.407 ' HG2' ' HE1' ' B' ' 16' ' ' TRP . 33.0 ttpt -88.56 -5.92 57.88 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 114.692 -1.14 . . . . 75.150000000000006 111.44 -173.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.538 HG12 HD23 ' B' ' 49' ' ' LEU . 29.0 m -133.51 162.71 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 CA-C-O 121.527 0.68 . . . . 73.400000000000006 112.279 175.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 37.6 t -106.94 126.79 62.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 125.609 1.564 . . . . 75.5 109.823 170.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 21.5 p -104.23 136.56 43.61 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 121.432 0.634 . . . . 74.430000000000007 111.404 176.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 47.3 t -147.23 170.64 16.83 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.145 1.378 . . . . 74.129999999999995 109.127 -175.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -120.06 122.24 40.64 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.96 -0.462 . . . . 75.129999999999995 111.828 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.39 107.79 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 123.699 0.8 . . . . 71.120000000000005 109.622 168.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 55.17 39.11 31.34 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.049 1.34 . . . . 71.209999999999994 113.451 173.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.32 -26.36 15.88 Favored Glycine 0 CA--C 1.54 1.609 0 N-CA-C 114.389 0.516 . . . . 63.039999999999999 114.389 -176.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -81.54 149.15 28.8 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.293 0.637 . . . . 74.349999999999994 112.01 177.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 74.2 mt -77.97 105.71 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.391 0.676 . . . . 73.140000000000001 110.501 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -95.1 117.21 29.81 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.273 0.629 . . . . 74.409999999999997 109.984 173.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.43 147.08 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.101 0.56 . . . . 74.450000000000003 110.032 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -145.18 152.16 39.57 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.232 0.613 . . . . 65.0 109.504 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 66.5 mt -72.36 145.78 47.52 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 112.534 0.568 . . . . 75.349999999999994 112.534 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 77.0 t -68.27 135.04 29.23 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 N-CA-C 109.035 -0.728 . . . . 73.239999999999995 109.035 165.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 74.5 mt -58.31 108.15 0.58 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.205 0.602 . . . . 73.400000000000006 111.513 -172.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -0.59 52.45 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 124.025 0.93 . . . . 75.439999999999998 112.639 -176.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -59.17 91.11 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.443 1.097 . . . . 75.430000000000007 111.814 -175.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 62.54 37.51 13.14 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.774 1.229 . . . . 73.219999999999999 111.938 -175.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -113.96 13.41 18.27 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.968 0.907 . . . . 75.319999999999993 111.061 173.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -78.36 86.39 4.44 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.06 0.544 . . . . 70.420000000000002 110.561 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 46.4 t60 -143.23 89.5 2.1 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.849 0.859 . . . . 72.530000000000001 109.192 176.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 26.1 t60 . . . . . 0 N--CA 1.479 1.017 0 C-N-CA 123.457 0.703 . . . . 74.329999999999998 110.135 -178.739 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.477 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 110.368 -0.234 . . . . 72.540000000000006 110.368 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.8 mttm 63.22 84.78 0.14 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.255 1.422 . . . . 75.519999999999996 112.167 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 52.0 ttm -154.69 152.91 30.5 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.69 0.796 . . . . 54.509999999999998 110.31 179.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.03 -17.43 62.22 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 113.571 0.952 . . . . 73.430000000000007 113.571 178.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.583 ' HZ1' ' HB3' ' B' ' 53' ' ' ASP . 43.1 mtpt -64.12 -47.39 80.16 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.388 0.675 . . . . 75.040000000000006 111.165 169.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -73.52 -29.67 62.62 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.296 1.038 . . . . 72.209999999999994 111.08 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -67.02 -43.72 82.14 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 123.591 0.756 . . . . 74.239999999999995 109.909 170.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.29 -31.32 71.89 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.533 0.733 . . . . 73.510000000000005 111.311 171.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.19 -32.11 65.81 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-N 115.792 -0.64 . . . . 54.229999999999997 113.427 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.1 -37.27 69.56 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.271 0.628 . . . . 61.340000000000003 110.666 174.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.551 ' HA ' HE21 ' A' ' 14' ' ' GLN . 84.0 mt -66.81 -36.51 82.55 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.529 0.732 . . . . 64.409999999999997 110.446 171.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.76 -48.2 82.02 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.063 0.945 . . . . 64.099999999999994 112.848 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.42 -53.97 32.35 Favored Glycine 0 CA--C 1.537 1.453 0 O-C-N 123.871 0.732 . . . . 71.340000000000003 113.966 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.551 HE21 ' HA ' ' A' ' 11' ' ' LEU . 29.6 pt20 -64.76 -32.98 74.91 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 112.383 0.512 . . . . 75.010000000000005 112.383 -177.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.7 mt -70.3 -39.35 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 C-N-CA 122.853 0.461 . . . . 75.530000000000001 111.16 178.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -60.87 -52.36 65.39 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.936 0.494 . . . . 75.299999999999997 111.099 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.32 -31.91 66.15 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 122.84 0.456 . . . . 74.450000000000003 112.187 175.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.84 -41.13 87.94 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.198 0.599 . . . . 65.230000000000004 111.526 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.542 HD21 HD11 ' A' ' 30' ' ' ILE . 96.1 mt -79.82 -18.0 51.92 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.631 0.772 . . . . 72.200000000000003 112.467 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -74.7 136.75 41.82 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.278 0.631 . . . . 73.049999999999997 110.543 175.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.4 -44.78 3.39 Favored Glycine 0 CA--C 1.541 1.674 0 C-N-CA 122.661 0.172 . . . . 72.099999999999994 113.522 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.6 p -75.27 161.85 28.96 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.071 0.549 . . . . 62.229999999999997 111.61 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -67.38 -10.17 48.58 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 123.732 0.813 . . . . 63.009999999999998 112.698 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.95 142.19 7.0 Favored Glycine 0 C--N 1.343 0.971 0 N-CA-C 111.07 -0.812 . . . . 74.019999999999996 111.07 -170.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.41 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 94.2 mt -128.03 154.43 45.66 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 117.481 0.64 . . . . 72.299999999999997 110.836 -172.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.2 p -86.3 170.73 11.8 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.494 0.718 . . . . 74.5 110.508 173.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -27.8 66.99 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 118.345 0.521 . . . . 63.340000000000003 111.992 179.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -69.69 -44.13 71.05 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 124.495 1.118 . . . . 72.409999999999997 111.94 174.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.41 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 93.9 mt-30 -76.31 -39.38 54.25 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.487 0.715 . . . . 71.140000000000001 111.91 -176.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.542 HD11 HD21 ' A' ' 19' ' ' LEU . 85.2 mt -64.86 -33.39 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 124.02 0.928 . . . . 74.200000000000003 110.951 173.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.473 ' HE3' ' HB3' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -52.47 -47.2 66.65 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.826 0.85 . . . . 75.140000000000001 110.593 175.071 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -69.41 -46.46 66.78 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 115.126 -0.943 . . . . 65.010000000000005 112.228 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.54 -42.88 99.81 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.686 0.794 . . . . 74.010000000000005 113.038 -174.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.9 p -87.73 -7.51 57.27 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.063 0.945 . . . . 74.420000000000002 112.943 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp 67.51 51.33 0.86 Allowed 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 124.668 1.187 . . . . 72.099999999999994 112.289 176.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -133.18 173.22 11.67 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.461 0.704 . . . . 75.219999999999999 110.875 174.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -124.18 -30.88 3.4 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.465 0.706 . . . . 72.450000000000003 110.877 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.83 108.94 19.4 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.365 0.666 . . . . 74.430000000000007 111.549 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.473 ' HB3' ' HE3' ' A' ' 31' ' ' LYS . 2.4 p-10 -59.16 -24.43 63.03 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 124.245 1.018 . . . . 74.230000000000004 112.159 169.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -51.95 -42.81 63.16 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.268 1.027 . . . . 72.230000000000004 112.02 174.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.52 -36.53 71.08 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.783 0.833 . . . . 44.340000000000003 111.134 176.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -59.11 -39.13 81.34 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.724 0.81 . . . . 72.349999999999994 112.116 176.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -66.84 -36.21 81.82 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 122.71 0.404 . . . . 73.5 111.892 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.33 -44.43 91.54 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.641 0.777 . . . . 71.230000000000004 111.249 173.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.437 ' O ' HD12 ' A' ' 49' ' ' LEU . . . -69.12 -49.51 39.98 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-N 116.043 -0.526 . . . . 74.409999999999997 113.779 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.685 HD11 HG21 ' A' ' 66' ' ' VAL . 50.7 tp -64.89 -34.12 77.63 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.65 0.78 . . . . 75.510000000000005 111.311 -178.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.11 -31.02 79.3 Favored Glycine 0 N--CA 1.472 1.077 0 CA-C-N 115.527 -0.761 . . . . 71.219999999999999 112.202 175.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -77.17 -30.29 54.85 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 123.145 0.578 . . . . 62.530000000000001 111.161 175.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.596 HD22 HG12 ' A' ' 55' ' ' VAL . 6.6 mp -64.59 -37.34 87.22 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.041 0.536 . . . . 74.209999999999994 110.844 171.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.8 mt -66.56 -44.87 81.14 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 122.96 0.504 . . . . 75.420000000000002 111.605 177.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.469 ' HB2' ' HB2' ' B' ' 51' ' ' ARG . 0.1 OUTLIER -65.62 -22.96 66.71 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 113.983 1.105 . . . . 75.450000000000003 113.983 -175.195 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -101.07 -3.43 29.29 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 117.928 0.331 . . . . 64.040000000000006 111.817 173.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.6 t70 62.32 45.83 6.4 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.546 1.138 . . . . 73.340000000000003 110.31 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -84.31 -26.06 28.81 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 114.902 -1.045 . . . . 74.239999999999995 111.13 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.596 HG12 HD22 ' A' ' 49' ' ' LEU . 29.4 m -133.46 158.51 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 113.165 0.802 . . . . 75.049999999999997 113.165 -171.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -120.7 136.1 58.79 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 124.357 1.063 . . . . 74.540000000000006 110.563 170.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.542 ' HG1' HD12 ' B' ' 4' ' ' LEU . 48.9 p -102.57 134.41 45.97 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.977 0.911 . . . . 73.200000000000003 110.627 -178.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.1 m -121.41 139.7 53.11 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.78 1.232 . . . . 75.540000000000006 109.499 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -98.07 104.14 16.15 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.13 0.572 . . . . 71.030000000000001 110.613 -175.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.6 t -116.43 107.37 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 123.085 0.554 . . . . 73.230000000000004 109.886 174.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.445 ' H ' ' HB3' ' A' ' 77' ' ' HIS . 18.3 mt-10 51.21 36.98 17.21 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 125.144 1.378 . . . . 72.310000000000002 113.571 174.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.95 -23.81 15.81 Favored Glycine 0 CA--C 1.541 1.675 0 N-CA-C 114.782 0.673 . . . . 41.219999999999999 114.782 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -70.11 137.11 50.86 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.705 0.802 . . . . 74.430000000000007 111.973 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 59.8 mt -75.64 94.56 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 N-CA-C 109.396 -0.594 . . . . 75.140000000000001 109.396 173.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -98.61 101.86 13.42 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 108.516 -0.92 . . . . 74.150000000000006 108.516 173.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.685 HG21 HD11 ' A' ' 46' ' ' LEU . 7.4 p -116.6 151.83 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 122.934 0.494 . . . . 74.340000000000003 110.531 -176.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -151.66 177.89 9.91 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.939 0.896 . . . . 73.540000000000006 108.943 177.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.7 mt -69.07 166.92 17.11 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.097 0.408 . . . . 65.409999999999997 111.603 175.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 82.0 t -56.63 -29.55 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 C-N-CA 123.043 0.537 . . . . 74.510000000000005 111.125 171.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.4 mt -52.35 98.67 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.306 1.042 . . . . 72.400000000000006 110.637 172.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -70.69 114.21 8.54 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.85 -0.614 . . . . 71.209999999999994 111.723 -172.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -150.55 103.94 3.17 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 115.352 -0.84 . . . . 74.439999999999998 109.031 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 30.5 m170 62.01 85.38 0.12 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 125.067 1.347 . . . . 71.129999999999995 112.56 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -83.76 128.97 34.93 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.217 0.607 . . . . 72.450000000000003 109.735 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -126.99 151.96 47.86 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.308 0.643 . . . . 75.319999999999993 111.322 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -154.47 158.04 39.32 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.592 0.757 . . . . 72.120000000000005 110.746 172.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.445 ' HB3' ' H ' ' A' ' 61' ' ' GLU . 57.1 t-80 . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 121.75 0.786 . . . . 75.450000000000003 109.875 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 36.0 mmt . . . . . 0 CA--C 1.554 1.12 0 CA-C-O 120.585 0.231 . . . . 75.140000000000001 111.527 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt 61.0 39.0 16.96 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.374 1.07 . . . . 74.040000000000006 113.046 176.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 50.2 ttm -63.6 165.89 7.54 Favored 'General case' 0 CA--C 1.564 1.482 0 C-N-CA 123.872 0.869 . . . . 75.150000000000006 111.119 173.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.542 HD12 ' HG1' ' A' ' 57' ' ' THR . 6.3 mp -53.41 -29.94 37.63 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.509 0.723 . . . . 72.120000000000005 111.825 176.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -68.78 -51.22 43.38 Favored 'General case' 0 CA--C 1.559 1.29 0 C-N-CA 124.161 0.984 . . . . 74.239999999999995 111.734 174.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.02 -48.69 80.67 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.651 0.78 . . . . 73.299999999999997 112.274 -175.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -67.17 -29.8 69.59 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 112.824 0.676 . . . . 75.340000000000003 112.824 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -24.56 63.46 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.664 0.785 . . . . 71.439999999999998 112.143 173.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.37 -31.32 80.48 Favored Glycine 0 CA--C 1.543 1.796 0 CA-C-N 115.569 -0.741 . . . . 63.32 113.848 172.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.25 89.96 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.11 0.564 . . . . 74.5 111.472 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.67 -38.78 90.25 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 115.768 -0.651 . . . . 74.319999999999993 110.502 174.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.72 -48.4 81.27 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.903 0.881 . . . . 73.409999999999997 112.822 176.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.68 -52.97 44.78 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.308 -0.86 . . . . 43.229999999999997 113.9 -177.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -66.97 -34.51 77.91 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.525 0.73 . . . . 61.409999999999997 112.815 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.643 HD12 ' HA3' ' B' ' 45' ' ' GLY . 69.2 mt -64.9 -43.92 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 C-N-CA 122.877 0.471 . . . . 71.400000000000006 111.079 176.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -59.64 -42.68 93.3 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.44 0.696 . . . . 75.409999999999997 110.83 174.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -66.64 -30.23 70.45 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.929 0.891 . . . . 73.329999999999998 112.359 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.32 -34.26 74.38 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.192 0.597 . . . . 73.209999999999994 111.185 173.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.591 HD21 HD13 ' B' ' 30' ' ' ILE . 91.9 mt -79.34 -26.74 42.06 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.111 0.965 . . . . 74.239999999999995 112.697 176.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -65.11 125.68 25.71 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.992 0.517 . . . . 73.209999999999994 112.106 -172.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.12 -35.52 4.07 Favored Glycine 0 CA--C 1.537 1.423 0 CA-C-N 116.087 -0.506 . . . . 74.120000000000005 113.641 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 60.6 p -84.42 167.51 16.39 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.16 0.584 . . . . 74.120000000000005 111.909 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -86.28 34.36 0.63 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.031 0.933 . . . . 64.420000000000002 111.547 173.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.495 ' HA3' ' HG2' ' B' ' 67' ' ' LYS . . . 88.12 157.63 32.25 Favored Glycine 0 C--N 1.346 1.109 0 CA-C-N 116.065 -0.516 . . . . 74.510000000000005 113.754 175.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.448 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 98.3 mt -136.63 156.17 48.91 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.216 1.007 . . . . 74.040000000000006 110.108 -176.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 43.5 p -75.72 171.21 14.74 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.124 0.57 . . . . 75.099999999999994 110.928 172.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -55.38 -40.15 70.98 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.772 0.429 . . . . 74.209999999999994 110.954 172.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -60.77 -53.18 60.54 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 124.018 0.927 . . . . 71.400000000000006 111.945 176.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . 0.448 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 87.1 mm-40 -66.05 -37.29 85.46 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.826 0.85 . . . . 75.540000000000006 112.375 -175.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.591 HD13 HD21 ' B' ' 19' ' ' LEU . 91.7 mt -67.12 -45.38 86.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.276 0.63 . . . . 72.209999999999994 110.765 174.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.482 ' HG2' ' HB2' ' B' ' 36' ' ' LEU . 24.4 mtpp -61.51 -26.62 68.04 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.811 0.444 . . . . 72.420000000000002 111.975 176.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -71.25 -54.1 12.07 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.699 0.4 . . . . 73.420000000000002 111.452 171.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.12 -34.29 78.04 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 112.991 0.737 . . . . 74.400000000000006 112.991 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.453 ' OG1' ' HG ' ' B' ' 36' ' ' LEU . 69.1 p -99.72 -13.29 19.37 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 123.943 0.897 . . . . 63.200000000000003 112.227 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . 0.257 14.6 ptmm? 53.31 49.1 20.53 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 125.92 1.688 . . . . 74.329999999999998 112.99 -178.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.544 HD23 ' HB3' ' B' ' 41' ' ' ASP . 98.0 mt -64.46 143.81 57.64 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 114.763 -1.108 . . . . 74.530000000000001 111.526 174.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -73.06 -56.59 4.92 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.365 0.666 . . . . 75.439999999999998 112.278 -175.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.76 173.39 7.24 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.834 0.826 . . . . 73.530000000000001 112.575 -173.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -58.47 -38.77 78.26 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 125.331 1.452 . . . . 64.239999999999995 111.337 174.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.457 ' HA ' ' HD2' ' B' ' 43' ' ' PHE . 35.6 mmtp -68.33 -33.96 75.25 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.484 1.114 . . . . 74.109999999999999 112.86 -175.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.544 ' HB3' HD23 ' B' ' 36' ' ' LEU . 1.2 m-20 -52.34 -35.22 50.41 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 124.745 1.218 . . . . 74.120000000000005 111.789 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -71.88 -42.09 67.21 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.083 -0.962 . . . . 72.310000000000002 112.182 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.457 ' HD2' ' HA ' ' B' ' 40' ' ' LYS . 54.8 m-85 -68.95 -34.1 74.79 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.09 0.556 . . . . 72.099999999999994 112.266 -176.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.95 -38.52 91.39 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.266 0.626 . . . . 73.340000000000003 111.005 173.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . 0.643 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -75.3 -60.5 3.26 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 115.763 -0.653 . . . . 74.219999999999999 113.579 178.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 47.0 tp -58.19 -35.14 71.18 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.242 1.017 . . . . 73.510000000000005 112.62 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.05 -31.29 80.38 Favored Glycine 0 N--CA 1.479 1.524 0 CA-C-O 121.477 0.487 . . . . 72.129999999999995 112.553 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' TRP . . . . . 0.528 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 13.7 t-105 -74.55 -34.69 63.01 Favored 'General case' 0 CA--C 1.564 1.511 0 C-N-CA 124.196 0.998 . . . . 74.230000000000004 110.838 174.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.584 HD22 HG12 ' B' ' 55' ' ' VAL . 5.9 mp -66.8 -35.01 79.08 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.18 0.592 . . . . 71.239999999999995 110.701 174.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 79.3 mt -71.63 -34.78 70.09 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.29 1.036 . . . . 75.040000000000006 111.958 173.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' B' ' 48' ' ' TRP . 5.0 ptt180 -60.39 -27.7 67.64 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 112.451 0.537 . . . . 75.219999999999999 112.451 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.442 ' HG3' ' HG3' ' B' ' 51' ' ' ARG . 32.5 mt-10 -112.38 -4.02 14.37 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.189 0.996 . . . . 73.200000000000003 111.878 177.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . 0.583 ' HB3' ' HZ1' ' A' ' 5' ' ' LYS . 3.9 p30 48.69 50.88 16.59 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 125.663 1.585 . . . . 74.540000000000006 113.177 -176.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -87.16 -6.09 58.76 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 114.64 -1.164 . . . . 73.519999999999996 110.796 172.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.584 HG12 HD22 ' B' ' 49' ' ' LEU . 26.9 m -130.0 159.5 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.297 1.039 . . . . 65.5 112.048 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 3.7 p -116.24 122.66 70.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-N 115.378 -0.828 . . . . 63.520000000000003 109.167 165.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 81.5 p -104.25 147.46 27.45 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.121 0.569 . . . . 70.299999999999997 111.229 -174.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 68.0 m -143.65 166.43 24.88 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.118 0.967 . . . . 75.219999999999999 110.138 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -118.46 121.97 41.61 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.479 0.712 . . . . 74.340000000000003 109.722 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -112.37 106.69 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.927 0.891 . . . . 73.540000000000006 109.106 174.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 47.2 50.71 14.01 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 125.5 1.52 . . . . 75.109999999999999 113.307 170.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.81 -27.1 10.42 Favored Glycine 0 CA--C 1.544 1.853 0 CA-C-N 115.462 -0.79 . . . . 74.439999999999998 114.887 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -91.7 154.85 18.7 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 117.641 0.72 . . . . 72.150000000000006 111.816 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 63.2 mt -88.34 122.62 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 123.311 0.644 . . . . 74.200000000000003 110.898 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -121.79 125.8 47.36 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.315 1.046 . . . . 74.140000000000001 108.84 173.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.6 m -129.52 154.52 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 122.752 0.421 . . . . 75.219999999999999 111.88 -173.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.495 ' HG2' ' HA3' ' B' ' 24' ' ' GLY . 48.2 mtpt -130.88 177.05 7.72 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.612 1.165 . . . . 72.519999999999996 109.579 174.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.479 HD22 HG11 ' B' ' 55' ' ' VAL . 68.0 mt -86.37 160.05 19.19 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.566 0.346 . . . . 73.299999999999997 110.383 166.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.11 119.57 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 N-CA-C 109.763 -0.458 . . . . 72.140000000000001 109.763 170.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 74.2 mt -87.91 66.72 8.82 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.552 0.741 . . . . 75.430000000000007 111.624 -171.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -68.13 -35.3 77.89 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.458 1.103 . . . . 74.209999999999994 111.635 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -68.71 -9.11 48.51 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.815 0.846 . . . . 75.140000000000001 113.063 176.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -117.51 145.35 44.28 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.371 0.669 . . . . 75.019999999999996 111.253 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -72.87 92.64 1.62 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.17 0.588 . . . . 75.420000000000002 110.217 177.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -92.08 172.86 8.15 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.576 0.75 . . . . 74.299999999999997 110.068 169.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -70.48 141.79 51.97 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 122.689 0.396 . . . . 75.010000000000005 111.453 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 . . . . . 0 N--CA 1.486 1.372 0 C-N-CA 123.931 0.892 . . . . 74.400000000000006 110.776 -178.676 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.3 mtm . . . . . 0 N--CA 1.487 1.407 0 N-CA-C 110.537 -0.172 . . . . 74.439999999999998 110.537 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -102.12 98.24 8.44 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-O 120.923 0.392 . . . . 74.340000000000003 110.438 177.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 56.5 mtm -67.93 163.43 22.11 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.043 0.537 . . . . 73.519999999999996 112.018 177.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.63 -27.37 67.63 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-O 121.157 0.503 . . . . 74.219999999999999 110.601 170.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -70.47 -38.47 74.44 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.822 0.849 . . . . 75.420000000000002 111.669 169.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -64.26 -51.32 64.15 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.417 0.687 . . . . 74.310000000000002 111.783 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -65.85 -32.44 73.96 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 116.596 -0.274 . . . . 74.549999999999997 111.358 177.485 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.448 ' N ' ' HD2' ' A' ' 7' ' ' LYS . . . -63.34 -37.95 89.25 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.11 0.564 . . . . 73.120000000000005 111.159 174.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.6 -32.68 71.18 Favored Glycine 0 CA--C 1.539 1.549 0 CA-C-N 115.714 -0.676 . . . . 64.519999999999996 113.357 173.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.11 -41.71 85.77 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.373 0.669 . . . . 70.109999999999999 111.479 177.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.502 ' HA ' HE21 ' A' ' 14' ' ' GLN . 63.0 mt -75.41 -31.49 60.42 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.599 0.76 . . . . 75.040000000000006 110.676 177.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.87 -55.16 37.95 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.927 0.891 . . . . 73.129999999999995 112.445 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.85 -31.75 47.18 Favored Glycine 0 CA--C 1.537 1.465 0 O-C-N 123.703 0.627 . . . . 62.130000000000003 114.374 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.502 HE21 ' HA ' ' A' ' 11' ' ' LEU . 49.4 mt-30 -73.89 -47.09 40.56 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.612 0.765 . . . . 75.099999999999994 111.692 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.0 mt -64.57 -43.24 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 122.703 0.401 . . . . 72.340000000000003 110.706 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -54.07 -50.23 67.23 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.603 1.161 . . . . 65.450000000000003 111.223 175.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.21 -29.29 68.1 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 115.317 -0.856 . . . . 74.140000000000001 111.685 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.51 -35.92 78.16 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.178 0.591 . . . . 74.319999999999993 111.295 173.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.4 HD21 HD11 ' A' ' 25' ' ' LEU . 74.9 mt -81.48 -24.1 36.96 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.615 0.766 . . . . 70.340000000000003 111.774 176.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -63.58 118.97 8.95 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.552 0.741 . . . . 73.299999999999997 111.22 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.72 -35.07 5.17 Favored Glycine 0 CA--C 1.542 1.745 0 CA-C-N 115.951 -0.568 . . . . 72.420000000000002 113.262 -174.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.0 p -90.07 171.66 9.39 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 112.996 0.739 . . . . 63.100000000000001 112.996 -174.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -91.02 2.33 56.39 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.592 0.757 . . . . 72.439999999999998 111.966 173.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.47 147.71 7.37 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 114.45 0.54 . . . . 71.400000000000006 114.45 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 29' ' ' GLN . 6.1 mp -124.9 159.23 31.62 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.135 0.974 . . . . 70.239999999999995 109.535 176.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.2 p -89.67 172.08 9.2 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.718 0.407 . . . . 73.510000000000005 110.367 172.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -52.14 -49.98 62.66 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 113.198 0.814 . . . . 74.540000000000006 113.198 -175.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -70.24 -29.8 66.7 Favored 'General case' 0 CA--C 1.56 1.339 0 N-CA-C 112.53 0.567 . . . . 73.450000000000003 112.53 -176.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.402 ' HB3' HD22 ' A' ' 25' ' ' LEU . 50.9 mt-30 -67.31 -44.55 78.89 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 120.938 0.399 . . . . 75.239999999999995 111.331 173.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -68.84 -33.0 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 123.24 0.616 . . . . 73.349999999999994 111.181 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -52.3 -42.98 64.24 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.528 0.731 . . . . 73.150000000000006 111.613 173.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -69.05 -47.63 64.88 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 122.862 0.465 . . . . 71.5 111.378 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.73 93.79 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 112.943 0.72 . . . . 73.329999999999998 112.943 -175.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.9 p -99.24 -13.33 19.74 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.973 0.909 . . . . 71.219999999999999 112.795 -174.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt 63.44 29.62 15.47 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.414 1.086 . . . . 74.540000000000006 112.781 174.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.432 HD21 HD23 ' A' ' 11' ' ' LEU . 92.2 mt -75.86 118.76 18.99 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.913 0.485 . . . . 74.310000000000002 110.523 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -69.89 -54.11 14.94 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.201 0.6 . . . . 74.439999999999998 111.82 -175.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.6 154.58 17.3 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.211 0.604 . . . . 64.230000000000004 111.25 -174.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -60.72 -38.03 83.72 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 124.639 1.176 . . . . 72.519999999999996 111.465 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -57.01 -50.49 72.56 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.21 1.404 . . . . 72.400000000000006 112.077 -175.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.469 ' HB3' HD12 ' A' ' 11' ' ' LEU . 7.9 m-20 -55.04 -37.29 66.51 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.402 1.081 . . . . 61.509999999999998 112.305 178.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -66.18 -45.35 81.14 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 123.512 0.725 . . . . 74.109999999999999 111.856 176.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -69.54 -38.94 77.69 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 112.612 0.597 . . . . 61.32 112.612 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 mp -71.72 -31.93 67.24 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.353 0.661 . . . . 64.140000000000001 110.914 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.98 -62.36 4.55 Favored Glycine 0 CA--C 1.535 1.313 0 CA-C-N 116.242 -0.435 . . . . 50.020000000000003 112.814 174.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.48 -24.64 63.8 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.778 0.431 . . . . 71.209999999999994 110.986 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.39 -30.68 75.52 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 116.362 -0.381 . . . . 72.239999999999995 112.389 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -75.85 -29.27 58.52 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-O 121.399 0.619 . . . . 74.129999999999995 110.367 172.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.559 HD21 HG12 ' A' ' 55' ' ' VAL . 6.5 mp -65.21 -35.81 82.22 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.091 0.556 . . . . 70.349999999999994 110.881 169.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.2 mt -73.47 -34.79 65.54 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.122 0.569 . . . . 70.129999999999995 110.776 173.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.583 ' HA ' ' HD2' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -59.77 -40.7 89.08 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 123.745 0.818 . . . . 74.540000000000006 112.698 -174.561 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -104.17 6.5 35.72 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.622 0.769 . . . . 74.219999999999999 112.17 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 61.0 38.47 17.33 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.079 0.952 . . . . 62.329999999999998 111.835 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -71.22 -25.1 62.35 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.575 1.15 . . . . 73.109999999999999 111.28 174.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.559 HG12 HD21 ' A' ' 49' ' ' LEU . 32.9 m -134.03 166.72 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-O 122.418 1.104 . . . . 73.439999999999998 113.298 -173.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.693 HG11 ' HZ1' ' A' ' 67' ' ' LYS . 6.1 p -128.95 139.5 51.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 CA-C-N 113.182 -1.827 . . . . 75.030000000000001 109.292 169.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.652 HG23 HG13 ' A' ' 66' ' ' VAL . 75.4 p -100.96 171.22 7.78 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.278 0.631 . . . . 72.129999999999995 111.216 -172.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.469 ' HB3' ' HD2' ' A' ' 65' ' ' PHE . 38.7 t -163.21 165.24 24.61 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.207 1.003 . . . . 75.540000000000006 109.956 172.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.486 ' HB2' HD11 ' B' ' 4' ' ' LEU . 1.8 tm-20 -109.23 118.5 36.88 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.825 0.85 . . . . 75.540000000000006 109.721 178.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -117.8 111.95 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 N-CA-C 109.252 -0.647 . . . . 74.420000000000002 109.252 169.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 62.94 34.98 13.67 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 124.213 1.005 . . . . 74.549999999999997 113.017 173.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.87 13.79 82.78 Favored Glycine 0 CA--C 1.542 1.769 0 N-CA-C 114.355 0.502 . . . . 51.5 114.355 -175.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -116.07 150.85 36.65 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 123.963 0.905 . . . . 73.519999999999996 111.187 -175.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.7 mt -73.44 111.15 7.83 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 123.403 0.681 . . . . 75.329999999999998 110.759 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.469 ' HD2' ' HB3' ' A' ' 58' ' ' SER . 91.5 t80 -117.55 103.09 9.73 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.73 1.212 . . . . 73.340000000000003 109.29 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.652 HG13 HG23 ' A' ' 57' ' ' THR . 34.0 m -110.26 151.32 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 122.834 0.453 . . . . 71.239999999999995 111.016 -176.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.693 ' HZ1' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -151.66 158.79 43.92 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.92 0.888 . . . . 74.239999999999995 109.38 177.763 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.451 HD23 HG11 ' A' ' 55' ' ' VAL . 25.4 mt -61.04 163.69 5.74 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 118.754 0.707 . . . . 75.219999999999999 111.571 176.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.97 87.36 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-O 121.945 0.879 . . . . 75.420000000000002 109.803 173.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 pp -118.8 134.02 55.44 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.632 1.173 . . . . 71.010000000000005 109.414 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -80.29 89.86 5.53 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-O 122.191 0.996 . . . . 71.230000000000004 111.678 -176.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -136.55 108.22 7.01 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.084 0.953 . . . . 70.040000000000006 109.718 173.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -60.38 102.42 0.18 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.964 0.906 . . . . 75.030000000000001 109.617 175.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -116.32 120.41 38.81 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.411 0.684 . . . . 74.439999999999998 109.707 -176.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -69.19 90.94 0.5 Allowed 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.194 0.597 . . . . 72.25 110.916 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 -157.51 120.59 3.99 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.722 0.809 . . . . 75.129999999999995 109.668 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 25.1 p80 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 112.692 0.627 . . . . 74.450000000000003 112.692 178.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 CA--C 1.551 1.018 0 N-CA-C 110.827 -0.064 . . . . 75.239999999999995 110.827 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -81.66 126.09 31.35 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.565 0.346 . . . . 72.209999999999994 110.753 175.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.519 ' HA ' ' HE3' ' B' ' 3' ' ' MET . 1.2 tpt -103.44 171.62 7.27 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 123.345 0.658 . . . . 71.019999999999996 110.145 176.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 59' ' ' GLU . 6.5 mp -59.48 -26.0 64.9 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 123.767 0.827 . . . . 72.209999999999994 111.296 178.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.563 ' HZ2' ' HH2' ' B' ' 48' ' ' TRP . 55.9 tttp -69.98 -50.28 43.3 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.217 1.007 . . . . 73.120000000000005 111.448 173.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -65.16 -48.18 74.41 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 116.273 -0.421 . . . . 74.409999999999997 111.626 -172.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -27.09 67.3 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 116.138 -0.483 . . . . 75.299999999999997 111.672 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.86 99.6 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 122.9 0.48 . . . . 72.430000000000007 110.94 172.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.22 -33.21 68.89 Favored Glycine 0 C--N 1.347 1.166 0 CA-C-N 115.532 -0.758 . . . . 75.5 113.723 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.76 -52.05 54.18 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.299 0.64 . . . . 74.319999999999993 111.378 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.525 HD22 HD22 ' B' ' 36' ' ' LEU . 93.0 mt -62.48 -34.31 76.58 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.654 0.782 . . . . 73.030000000000001 111.517 177.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.99 -38.6 68.05 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.399 0.679 . . . . 71.450000000000003 112.467 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.26 -50.44 67.76 Favored Glycine 0 CA--C 1.541 1.666 0 CA-C-N 115.979 -0.555 . . . . 70.549999999999997 114.181 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -73.79 -33.09 64.07 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 122.911 0.484 . . . . 73.209999999999994 112.147 -177.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.476 HG21 HG22 ' B' ' 30' ' ' ILE . 94.5 mt -64.63 -44.69 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 C-N-CA 122.908 0.483 . . . . 74.230000000000004 110.589 175.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . 0.481 ' CD1' ' HD3' ' B' ' 54' ' ' LYS . 72.2 t90 -61.84 -42.04 98.55 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.28 0.632 . . . . 75.510000000000005 111.436 175.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -60.78 -37.01 80.43 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.194 0.997 . . . . 74.540000000000006 111.382 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.35 86.96 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.053 0.541 . . . . 71.430000000000007 111.583 174.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.466 HD21 HD11 ' B' ' 30' ' ' ILE . 68.3 mt -81.42 -21.34 38.98 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.099 0.96 . . . . 72.239999999999995 111.821 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.66 ' HA ' HD11 ' B' ' 68' ' ' LEU . 28.7 t-20 -71.22 128.9 37.44 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.489 0.716 . . . . 74.409999999999997 111.096 -177.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.07 3.32 74.97 Favored Glycine 0 CA--C 1.539 1.548 0 N-CA-C 114.921 0.729 . . . . 63.310000000000002 114.921 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.9 p -117.14 171.84 7.68 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.723 0.809 . . . . 73.430000000000007 111.322 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.84 -6.95 45.37 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.137 0.975 . . . . 74.409999999999997 112.798 171.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.51 ' HA3' ' HB3' ' B' ' 67' ' ' LYS . . . 98.56 153.97 28.72 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 112.518 -0.233 . . . . 71.25 112.518 -174.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.468 HD21 ' HB3' ' B' ' 29' ' ' GLN . 5.8 mp -127.62 159.1 35.69 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.641 0.776 . . . . 64.349999999999994 110.087 -175.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 67.0 p -81.24 168.92 17.96 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 116.367 -0.379 . . . . 74.099999999999994 110.716 170.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -50.67 -49.77 56.35 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 124.083 0.953 . . . . 74.040000000000006 111.755 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -61.59 -41.52 97.55 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 124.504 1.122 . . . . 75.439999999999998 112.449 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . 0.468 ' HB3' HD21 ' B' ' 25' ' ' LEU . 78.9 mt-30 -67.91 -41.24 82.98 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.334 0.654 . . . . 71.25 112.259 178.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.476 HG22 HG21 ' B' ' 15' ' ' ILE . 83.0 mt -64.81 -38.12 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 123.211 0.604 . . . . 74.299999999999997 110.894 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -56.9 -37.41 71.37 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 122.619 0.368 . . . . 71.219999999999999 111.873 175.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -71.7 -43.98 64.99 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 122.882 0.473 . . . . 73.200000000000003 111.577 174.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.66 -43.36 84.77 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.523 0.729 . . . . 63.219999999999999 112.63 -176.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 63.2 p -91.99 -19.07 22.79 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.397 1.079 . . . . 64.310000000000002 112.162 -176.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm 72.1 37.53 0.98 Allowed 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 125.184 1.394 . . . . 74.450000000000003 111.952 -175.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.525 HD22 HD22 ' B' ' 11' ' ' LEU . 78.0 mt -80.31 120.36 24.27 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 122.093 -0.379 . . . . 73.239999999999995 111.504 173.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -69.93 -58.38 3.92 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.974 0.91 . . . . 75.109999999999999 111.269 177.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.74 128.57 43.82 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.204 0.602 . . . . 63.420000000000002 111.281 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -65.55 -26.51 67.91 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.1 0.96 . . . . 74.310000000000002 111.625 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' B' ' 40' ' ' LYS . 0.0 OUTLIER -55.22 -37.66 67.43 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.98 0.912 . . . . 74.239999999999995 111.988 175.544 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -75.03 -37.23 61.8 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.642 0.777 . . . . 62.549999999999997 111.332 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -56.86 -43.32 81.07 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.528 0.731 . . . . 64.519999999999996 112.159 176.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -65.22 -33.19 75.41 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 112.834 0.679 . . . . 71.409999999999997 112.834 -177.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.72 -35.25 72.62 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.929 0.492 . . . . 71.439999999999998 111.001 174.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . 0.442 ' O ' HD11 ' B' ' 49' ' ' LEU . . . -69.52 -47.33 50.88 Favored Glycine 0 CA--C 1.539 1.562 0 CA-C-N 116.522 -0.308 . . . . 71.340000000000003 113.06 174.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.9 tp -68.17 -29.71 68.64 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.333 1.053 . . . . 75.010000000000005 111.211 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.47 -31.33 68.34 Favored Glycine 0 N--CA 1.472 1.082 0 CA-C-N 115.42 -0.809 . . . . 65.349999999999994 111.707 174.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' TRP . . . . . 0.563 ' HH2' ' HZ2' ' B' ' 5' ' ' LYS . 10.7 t-105 -74.06 -30.7 62.52 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 123.854 0.862 . . . . 51.420000000000002 110.79 173.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.472 HD23 HG12 ' B' ' 55' ' ' VAL . 7.1 mp -63.35 -40.22 96.68 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.319 0.648 . . . . 72.530000000000001 111.172 170.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.76 -34.68 78.37 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.741 0.816 . . . . 73.439999999999998 111.529 172.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.583 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 11.2 ttt85 -58.58 -47.88 82.8 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.531 0.733 . . . . 73.019999999999996 111.247 171.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.49 ' HB2' ' HG2' ' B' ' 54' ' ' LYS . 50.7 mm-40 -79.26 -17.09 55.4 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 116.231 -0.44 . . . . 74.230000000000004 112.038 -175.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 62.03 27.05 16.36 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.611 1.164 . . . . 73.329999999999998 112.558 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.49 ' HG2' ' HB2' ' B' ' 52' ' ' GLU . 15.1 ptpt -91.27 -7.65 50.55 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.644 0.778 . . . . 75.340000000000003 112.318 -178.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.472 HG12 HD23 ' B' ' 49' ' ' LEU . 16.1 m -133.84 162.68 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 CA-C-O 121.631 0.729 . . . . 63.109999999999999 112.526 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.647 HG12 HG23 ' B' ' 69' ' ' VAL . 31.3 m -112.53 133.92 56.76 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 124.628 1.171 . . . . 75.439999999999998 110.278 166.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' THR . . . . . 0.507 ' HA ' HG11 ' B' ' 66' ' ' VAL . 74.9 p -103.93 144.04 32.05 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.559 0.744 . . . . 75.400000000000006 110.093 177.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 89.7 p -149.17 170.64 17.97 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.411 0.685 . . . . 71.040000000000006 110.278 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -116.85 120.87 39.85 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.12 0.968 . . . . 72.519999999999996 109.118 175.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 56.3 t -111.21 107.88 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.395 0.678 . . . . 73.340000000000003 109.62 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 52.27 40.29 28.8 Favored 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 125.304 1.442 . . . . 75.129999999999995 114.088 172.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.05 -7.15 67.02 Favored Glycine 0 CA--C 1.542 1.776 0 N-CA-C 115.038 0.775 . . . . 74.109999999999999 115.038 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -109.2 154.73 21.97 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 117.613 0.706 . . . . 70.329999999999998 111.148 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 58.2 mt -81.11 118.09 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 122.849 0.46 . . . . 75.400000000000006 110.107 175.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -114.92 130.06 56.83 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.71 -0.848 . . . . 74.310000000000002 108.71 172.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.507 HG11 ' HA ' ' B' ' 57' ' ' THR . 33.7 m -135.86 154.82 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 123.004 0.522 . . . . 64.230000000000004 111.121 -176.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.51 ' HB3' ' HA3' ' B' ' 24' ' ' GLY . 20.8 ptmt -160.69 -178.44 6.86 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.209 0.604 . . . . 70.120000000000005 110.134 176.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.66 HD11 ' HA ' ' B' ' 20' ' ' ASN . 14.5 mt -76.25 -179.19 4.91 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 112.516 0.561 . . . . 71.530000000000001 112.516 -175.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.647 HG23 HG12 ' B' ' 56' ' ' VAL . 4.4 t -111.85 -1.24 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 C-N-CA 123.815 0.846 . . . . 75.150000000000006 110.427 168.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.94 46.65 2.59 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.508 0.723 . . . . 75.120000000000005 112.448 -164.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.68 108.45 2.48 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 122.052 -0.405 . . . . 74.140000000000001 110.239 175.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -67.66 109.0 3.12 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.266 0.627 . . . . 63.509999999999998 111.473 -174.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -71.89 85.13 0.96 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.63 0.772 . . . . 71.5 109.672 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -78.0 75.53 4.53 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-O 122.251 1.024 . . . . 72.239999999999995 110.468 -176.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -147.5 142.88 27.41 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.396 1.478 . . . . 75.129999999999995 109.367 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -87.67 -14.43 39.94 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 123.447 0.699 . . . . 74.540000000000006 111.618 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 . . . . . 0 N--CA 1.487 1.388 0 C-N-CA 123.243 0.617 . . . . 74.450000000000003 110.966 177.73 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 112.406 0.521 . . . . 73.430000000000007 112.406 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -55.55 -58.42 7.87 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 123.844 0.858 . . . . 73.129999999999995 112.217 -174.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.565 ' HB2' ' HG2' ' A' ' 6' ' ' GLU . 92.7 mmm -123.72 161.4 25.22 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.565 0.746 . . . . 63.009999999999998 109.621 172.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.483 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 8.7 mp -68.14 -19.23 64.79 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.089 0.471 . . . . 74.120000000000005 111.384 176.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -74.94 -45.74 40.4 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.35 1.06 . . . . 72.230000000000004 110.774 172.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.565 ' HG2' ' HB2' ' A' ' 3' ' ' MET . 20.9 mm-40 -71.9 -41.25 68.18 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 115.628 -0.714 . . . . 64.129999999999995 111.918 -173.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.483 ' HG2' ' HA ' ' A' ' 4' ' ' LEU . 20.2 ptmt -60.74 -37.25 81.13 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.629 0.371 . . . . 71.25 111.306 175.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.445 ' N ' ' HG3' ' A' ' 7' ' ' LYS . . . -61.44 -32.41 72.38 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.646 0.779 . . . . 61.43 110.852 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.32 -36.81 59.45 Favored Glycine 0 CA--C 1.537 1.469 0 CA-C-N 114.97 -1.014 . . . . 62.210000000000001 113.298 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.65 82.48 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.076 0.55 . . . . 65.25 111.17 175.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.07 -36.32 81.75 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.075 0.95 . . . . 72.420000000000002 110.593 175.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.453 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -58.97 -29.74 67.4 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.836 -0.62 . . . . 70.450000000000003 112.216 175.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.86 -54.98 29.49 Favored Glycine 0 CA--C 1.534 1.273 0 O-C-N 123.418 0.449 . . . . 62.240000000000002 113.156 174.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -74.96 -37.44 61.96 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 113.122 0.786 . . . . 74.420000000000002 113.122 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.571 HG21 HG22 ' A' ' 30' ' ' ILE . 83.0 mt -67.93 -41.33 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 123.195 0.598 . . . . 61.409999999999997 111.012 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -65.65 -41.86 92.08 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 122.829 0.452 . . . . 71.420000000000002 111.224 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -62.21 -29.55 70.46 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 112.397 0.517 . . . . 73.409999999999997 112.397 176.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.44 91.04 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 121.238 0.542 . . . . 72.450000000000003 110.925 172.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.537 ' HA ' HD11 ' A' ' 25' ' ' LEU . 51.4 mt -80.38 -23.71 40.27 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.466 1.106 . . . . 72.329999999999998 112.121 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -69.91 133.63 47.54 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.643 0.777 . . . . 73.420000000000002 111.516 -174.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.38 10.77 75.43 Favored Glycine 0 CA--C 1.538 1.525 0 CA-C-N 115.702 -0.681 . . . . 74.030000000000001 114.008 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 m -127.33 159.98 32.76 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.995 0.918 . . . . 75.329999999999998 110.645 -177.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -59.75 -30.03 68.56 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.452 1.101 . . . . 64.400000000000006 113.366 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.648 ' HA3' ' HG2' ' A' ' 67' ' ' LYS . . . 133.11 141.69 4.64 Favored Glycine 0 N--CA 1.477 1.405 0 N-CA-C 111.853 -0.499 . . . . 62.240000000000002 111.853 -171.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.537 HD11 ' HA ' ' A' ' 19' ' ' LEU . 7.0 mp -123.68 153.36 40.92 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.329 0.652 . . . . 73.349999999999994 111.334 -170.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.7 p -84.89 -177.54 6.6 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.492 0.717 . . . . 75.129999999999995 110.454 171.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.411 ' HG2' ' CE2' ' A' ' 42' ' ' PHE . 42.4 mt-30 -57.07 -49.62 75.3 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 119.278 -0.392 . . . . 74.549999999999997 111.592 173.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -58.53 -43.0 89.06 Favored 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 123.519 0.728 . . . . 74.400000000000006 112.347 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 19.3 mm-40 -67.0 -44.65 79.84 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 115.883 -0.599 . . . . 74.150000000000006 111.98 -176.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.571 HG22 HG21 ' A' ' 15' ' ' ILE . 73.0 mt -67.55 -42.2 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 C-N-CA 122.666 0.386 . . . . 73.319999999999993 110.44 175.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 42.3 tttp -55.88 -35.67 66.76 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 125.367 1.467 . . . . 75.340000000000003 111.426 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -66.41 -52.31 47.93 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-N 114.989 -1.005 . . . . 74.349999999999994 111.061 172.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.49 -22.06 59.26 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 113.611 0.967 . . . . 75.5 113.611 -172.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.8 p -108.8 -19.02 13.56 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.717 0.807 . . . . 74.129999999999995 112.394 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm 67.97 32.39 5.12 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.441 1.096 . . . . 74.120000000000005 112.121 177.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.8 mt -87.87 96.55 10.52 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.733 0.413 . . . . 64.150000000000006 110.652 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -39.93 93.1 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 123.955 0.902 . . . . 72.549999999999997 111.637 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.35 119.95 33.88 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.742 0.817 . . . . 74.200000000000003 110.352 177.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -67.72 -24.4 65.37 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 122.673 0.389 . . . . 64.310000000000002 111.704 176.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -52.04 -41.61 62.44 Favored 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 123.865 0.866 . . . . 73.430000000000007 111.251 174.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -69.99 -44.27 69.72 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.405 1.082 . . . . 74.239999999999995 109.786 177.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.411 ' CE2' ' HG2' ' A' ' 27' ' ' GLN . 52.0 t80 -57.36 -44.0 83.97 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.791 1.236 . . . . 64.310000000000002 113.108 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -63.47 -32.78 74.32 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 123.455 0.702 . . . . 72.439999999999998 112.541 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.75 -43.38 93.51 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 122.923 0.489 . . . . 75.439999999999998 111.028 174.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.529 ' HA3' HD11 ' A' ' 15' ' ' ILE . . . -67.99 -48.92 51.25 Favored Glycine 0 C--N 1.35 1.354 0 CA-C-N 116.307 -0.406 . . . . 75.519999999999996 113.412 177.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.64 HD11 HG11 ' A' ' 66' ' ' VAL . 58.9 tp -65.15 -32.58 74.34 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.834 0.854 . . . . 73.120000000000005 111.482 178.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.79 -31.6 76.14 Favored Glycine 0 N--CA 1.47 0.959 0 CA-C-N 115.304 -0.862 . . . . 54.439999999999998 111.824 175.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.528 ' HA ' ' HB3' ' A' ' 51' ' ' ARG . 20.8 t-105 -74.55 -27.94 60.73 Favored 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 123.279 0.631 . . . . 75.209999999999994 110.721 174.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.518 HD23 HG13 ' A' ' 55' ' ' VAL . 6.6 mp -64.65 -39.09 93.08 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 123.018 0.527 . . . . 75.140000000000001 111.314 171.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.491 HD22 HG23 ' A' ' 57' ' ' THR . 68.5 mt -68.93 -35.39 76.74 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.902 0.481 . . . . 71.349999999999994 111.141 172.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.528 ' HB3' ' HA ' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -60.41 -42.13 95.35 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.073 0.949 . . . . 74.349999999999994 110.698 175.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -83.06 -11.51 57.97 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.272 0.629 . . . . 74.200000000000003 112.191 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 70.44 18.84 6.53 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 125.374 1.47 . . . . 75.530000000000001 112.464 -176.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -79.36 -14.93 58.65 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 113.782 1.03 . . . . 73.120000000000005 113.782 -174.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.518 HG13 HD23 ' A' ' 49' ' ' LEU . 32.7 m -132.88 154.2 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 N-CA-C 113.35 0.87 . . . . 74.25 113.35 -176.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -105.03 129.7 57.29 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 CA-C-N 114.686 -1.143 . . . . 75.239999999999995 109.201 171.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.491 HG23 HD22 ' A' ' 50' ' ' LEU . 15.5 p -101.69 134.21 45.19 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.746 0.784 . . . . 73.510000000000005 111.681 -176.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.3 t -146.01 171.63 14.58 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.199 1.4 . . . . 62.020000000000003 108.405 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -126.86 119.87 27.84 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.76 -0.459 . . . . 73.010000000000005 109.76 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.4 t -104.82 110.5 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.136 0.974 . . . . 75.540000000000006 109.821 178.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 51.37 42.1 28.83 Favored 'General case' 0 CA--C 1.564 1.514 0 C-N-CA 125.518 1.527 . . . . 73.510000000000005 113.677 170.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.18 8.34 61.54 Favored Glycine 0 CA--C 1.537 1.466 0 N-CA-C 115.274 0.869 . . . . 73.200000000000003 115.274 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -136.07 154.47 51.01 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 118.017 0.908 . . . . 75.420000000000002 110.777 176.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 61.6 mt -76.76 130.48 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 122.983 0.513 . . . . 74.519999999999996 110.857 -176.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -128.6 129.53 46.05 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.584 1.153 . . . . 73.120000000000005 109.766 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.64 HG11 HD11 ' A' ' 46' ' ' LEU . 25.7 m -131.6 151.07 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.332 0.653 . . . . 74.140000000000001 112.141 -175.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.648 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 38.6 mtmm -134.96 161.4 35.38 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.793 0.837 . . . . 74.439999999999998 109.671 176.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.0 mt -77.3 136.48 38.48 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 117.768 0.258 . . . . 70.120000000000005 111.514 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.7 t -79.4 77.16 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-O 122.012 0.911 . . . . 73.439999999999998 109.668 172.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.7 mt -91.7 -13.75 31.19 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 114.985 -1.007 . . . . 74.219999999999999 110.429 174.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -133.14 135.03 44.94 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.405 1.082 . . . . 71.540000000000006 110.005 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -107.91 102.36 11.55 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.917 0.887 . . . . 71.099999999999994 111.32 -174.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -159.83 163.76 34.21 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.047 0.939 . . . . 74.219999999999999 111.245 175.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -80.45 84.53 6.05 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-O 121.189 0.519 . . . . 74.230000000000004 111.067 176.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -90.85 -5.34 55.69 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.423 0.63 . . . . 74.420000000000002 109.786 171.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.441 ' ND1' ' SD ' ' B' ' 3' ' ' MET . 83.7 m-70 -133.76 167.12 21.12 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.32 1.048 . . . . 74.319999999999993 110.728 178.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.44 ' HD1' ' N ' ' B' ' 1' ' ' MET . 50.9 t-80 . . . . . 0 N--CA 1.481 1.116 0 C-N-CA 123.914 0.885 . . . . 54.329999999999998 109.845 174.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.44 ' N ' ' HD1' ' A' ' 77' ' ' HIS . 32.4 mmt . . . . . 0 CA--C 1.549 0.933 0 CA-C-O 120.588 0.232 . . . . 74.049999999999997 111.207 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -88.71 130.12 35.39 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.596 0.758 . . . . 74.329999999999998 110.314 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.441 ' SD ' ' ND1' ' A' ' 76' ' ' HIS . 31.3 mmt -83.83 174.58 10.29 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 114.203 1.186 . . . . 71.400000000000006 114.203 -166.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.65 -26.76 66.38 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.405 1.082 . . . . 74.200000000000003 111.929 -175.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -74.44 -38.46 63.0 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.039 0.447 . . . . 71.129999999999995 110.531 172.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -77.24 -39.18 49.36 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 112.781 0.66 . . . . 73.329999999999998 112.781 -173.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -26.34 68.52 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 118.05 0.387 . . . . 74.209999999999994 111.61 175.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.36 -41.46 84.79 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.516 0.726 . . . . 74.450000000000003 111.475 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.13 -35.44 64.27 Favored Glycine 0 CA--C 1.539 1.581 0 CA-C-N 115.794 -0.639 . . . . 72.319999999999993 114.427 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.27 -46.98 72.07 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 121.236 0.541 . . . . 65.530000000000001 111.307 177.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.45 HD13 ' HB3' ' B' ' 41' ' ' ASP . 88.6 mt -68.94 -30.44 68.89 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.612 0.765 . . . . 74.200000000000003 111.266 176.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.03 81.84 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.646 0.779 . . . . 74.430000000000007 111.774 174.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.33 -45.3 92.97 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-N 115.725 -0.671 . . . . 52.119999999999997 112.829 173.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.45 -50.48 63.19 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.731 0.812 . . . . 73.450000000000003 111.643 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.569 HG23 HG21 ' B' ' 30' ' ' ILE . 82.6 mt -60.65 -44.52 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 124.192 0.997 . . . . 75.200000000000003 111.784 -177.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -63.68 -43.39 96.81 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 116.156 -0.474 . . . . 75.439999999999998 111.309 177.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -64.2 -28.39 69.72 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 112.506 0.558 . . . . 75.420000000000002 112.506 177.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.99 89.05 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 121.181 0.515 . . . . 72.340000000000003 110.962 172.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.427 HD23 HD12 ' B' ' 30' ' ' ILE . 79.7 mt -79.48 -24.58 42.24 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.215 1.006 . . . . 75.140000000000001 111.966 177.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -68.21 126.89 30.98 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.005 0.922 . . . . 75.099999999999994 111.22 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.02 10.9 84.17 Favored Glycine 0 CA--C 1.54 1.602 0 CA-C-N 115.919 -0.582 . . . . 72.209999999999994 113.681 -174.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.6 m -126.42 159.33 33.6 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.821 0.848 . . . . 74.349999999999994 111.079 -175.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -66.19 -25.22 66.84 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.767 1.227 . . . . 73.349999999999994 113.076 175.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.47 145.76 6.73 Favored Glycine 0 C--N 1.348 1.21 0 N-CA-C 112.206 -0.358 . . . . 74.319999999999993 112.206 -171.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.434 HD22 ' HB3' ' B' ' 29' ' ' GLN . 4.8 mp -126.49 161.08 28.79 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.102 0.561 . . . . 74.310000000000002 110.523 -177.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 69.8 p -81.03 171.56 14.82 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 116.187 -0.46 . . . . 73.299999999999997 110.484 172.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -47.23 82.42 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 112.324 0.49 . . . . 73.439999999999998 112.324 -176.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -65.72 -41.32 92.43 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.268 0.627 . . . . 74.150000000000006 111.733 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . 0.434 ' HB3' HD22 ' B' ' 25' ' ' LEU . 48.8 mt-30 -58.44 -43.25 88.7 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.261 0.624 . . . . 70.329999999999998 111.902 179.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.569 HG21 HG23 ' B' ' 15' ' ' ILE . 73.9 mt -71.84 -46.45 60.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.245 0.618 . . . . 73.120000000000005 111.28 178.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -56.85 -33.13 66.49 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 123.254 0.622 . . . . 74.340000000000003 111.99 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -70.18 -53.14 18.43 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 123.272 0.629 . . . . 72.340000000000003 111.581 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.57 -48.69 79.8 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.657 0.783 . . . . 73.530000000000001 112.285 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.43 ' OG1' ' HG ' ' B' ' 36' ' ' LEU . 49.9 p -83.53 -12.82 55.73 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 124.329 1.052 . . . . 74.200000000000003 112.171 -179.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.56 ' HZ1' ' HB2' ' B' ' 35' ' ' LYS . 0.0 OUTLIER 68.1 38.57 2.64 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 125.246 1.418 . . . . 65.510000000000005 112.588 175.046 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' B' ' 41' ' ' ASP . 86.9 mt -65.39 148.9 50.9 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.617 0.767 . . . . 73.530000000000001 111.511 175.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -93.3 -50.99 5.2 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.2 0.6 . . . . 73.530000000000001 111.073 -178.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.73 157.91 17.1 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.616 0.766 . . . . 74.329999999999998 111.201 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.49 -32.51 73.98 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 115.336 -0.847 . . . . 74.420000000000002 110.09 165.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -59.66 -36.36 76.27 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.11 0.964 . . . . 73.310000000000002 112.078 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.45 ' HB3' HD13 ' B' ' 11' ' ' LEU . 66.3 m-20 -63.26 -34.92 78.72 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.454 0.702 . . . . 64.310000000000002 110.874 175.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -74.69 -40.08 61.58 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 115.592 -0.731 . . . . 74.329999999999998 111.807 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -66.42 -43.95 84.28 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 122.717 0.407 . . . . 72.420000000000002 111.925 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.51 -37.35 74.14 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.215 0.606 . . . . 71.329999999999998 110.714 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . 0.486 ' HA3' HD13 ' B' ' 15' ' ' ILE . . . -63.94 -56.62 17.58 Favored Glycine 0 CA--C 1.538 1.499 0 CA-C-N 116.369 -0.378 . . . . 74.239999999999995 113.246 176.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.85 -28.6 69.1 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 123.44 0.696 . . . . 65.219999999999999 110.486 177.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.09 -31.61 81.37 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 115.952 -0.567 . . . . 74.420000000000002 112.233 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' TRP . . . . . 0.461 ' HA ' ' HG3' ' B' ' 51' ' ' ARG . 12.9 t-105 -73.42 -34.34 65.4 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-O 120.924 0.392 . . . . 75.319999999999993 110.278 173.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.574 HD22 HG11 ' B' ' 55' ' ' VAL . 6.5 mp -62.3 -32.79 73.58 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.073 0.549 . . . . 71.150000000000006 111.283 171.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 84.2 mt -71.05 -38.84 72.53 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.322 0.649 . . . . 74.239999999999995 111.888 175.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.461 ' HG3' ' HA ' ' B' ' 48' ' ' TRP . 0.1 OUTLIER -74.39 -21.41 59.66 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.944 -0.473 . . . . 64.099999999999994 111.794 176.341 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -85.22 -16.16 41.18 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.725 0.41 . . . . 74.040000000000006 111.102 170.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 27.8 t70 67.5 22.49 9.26 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 125.246 1.418 . . . . 72.329999999999998 111.579 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -88.14 -6.85 57.65 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.118 0.784 . . . . 73.409999999999997 113.118 -176.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.574 HG11 HD22 ' B' ' 49' ' ' LEU . 33.4 m -134.18 161.7 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 CA-C-O 122.066 0.936 . . . . 75.25 112.969 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -129.63 130.34 66.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 113.937 -1.483 . . . . 75.319999999999993 108.466 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' THR . . . . . 0.624 HG21 HG13 ' B' ' 66' ' ' VAL . 76.2 p -105.01 132.05 51.75 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.498 0.719 . . . . 72.120000000000005 110.246 -170.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 50.3 p -139.42 163.75 31.7 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.085 0.954 . . . . 73.230000000000004 109.881 -175.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -109.65 119.31 39.01 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.614 0.366 . . . . 75.409999999999997 110.953 -176.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 73.6 t -110.1 109.33 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 108.803 -0.814 . . . . 74.549999999999997 108.803 169.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 54.45 50.88 15.18 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 125.029 1.332 . . . . 74.310000000000002 113.067 175.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.14 7.62 86.81 Favored Glycine 0 CA--C 1.54 1.615 0 N-CA-C 115.195 0.838 . . . . 64.239999999999995 115.195 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -122.66 156.9 33.4 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 117.841 0.82 . . . . 75.239999999999995 111.819 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 57.9 mt -80.99 116.26 24.99 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.066 0 CA-C-N 115.608 -0.724 . . . . 65.340000000000003 110.781 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -116.19 103.82 10.91 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.029 1.332 . . . . 75.219999999999999 108.693 177.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.624 HG13 HG21 ' B' ' 57' ' ' THR . 19.0 m -98.42 146.52 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 122.742 0.417 . . . . 73.299999999999997 110.23 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -153.96 154.85 34.54 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.963 0.505 . . . . 73.209999999999994 110.033 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.518 HD22 HG13 ' B' ' 55' ' ' VAL . 61.6 mt -68.56 150.13 48.39 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 118.048 0.386 . . . . 72.109999999999999 111.984 -176.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.2 t -74.67 79.15 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-O 121.958 0.885 . . . . 70.319999999999993 109.626 175.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 65.8 mt -106.14 -57.08 2.1 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.155 0.982 . . . . 75.019999999999996 108.974 177.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -108.63 143.1 38.13 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.957 0.903 . . . . 71.129999999999995 110.543 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -93.11 45.33 1.17 Allowed 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 124.385 1.074 . . . . 72.129999999999995 111.212 177.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -74.7 125.74 29.36 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.656 0.782 . . . . 74.239999999999995 111.427 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -82.68 142.87 31.34 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.794 0.838 . . . . 74.299999999999997 111.041 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -92.53 159.63 15.42 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.08 0.552 . . . . 74.530000000000001 111.158 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -99.84 173.84 6.49 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.469 0.708 . . . . 74.010000000000005 110.689 171.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 30.1 p80 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 121.666 0.746 . . . . 70.549999999999997 112.42 -176.187 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.7 mtt . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 120.714 0.293 . . . . 73.219999999999999 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -70.85 -39.76 72.76 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 109.672 -0.492 . . . . 75.400000000000006 109.672 176.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.5 ptm -141.43 163.75 32.08 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.658 0.783 . . . . 75.120000000000005 110.437 172.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.9 mt -69.27 -25.52 64.31 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 112.006 0.373 . . . . 74.329999999999998 112.006 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -65.15 -34.1 77.58 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 123.544 0.738 . . . . 74.450000000000003 111.008 173.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -68.91 -51.31 41.31 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.571 0.748 . . . . 72.140000000000001 111.175 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -22.54 62.87 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 112.277 0.473 . . . . 73.329999999999998 112.277 -175.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.68 -36.87 82.12 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.811 0.445 . . . . 75.329999999999998 110.689 169.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.11 -32.07 72.57 Favored Glycine 0 CA--C 1.538 1.519 0 CA-C-N 115.308 -0.86 . . . . 73.310000000000002 113.958 172.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.59 -45.42 75.57 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 122.986 0.515 . . . . 74.010000000000005 111.443 174.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.06 -39.47 89.99 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.534 0.734 . . . . 72.400000000000006 110.71 173.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.527 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -59.5 -43.12 93.42 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.848 0.859 . . . . 72.439999999999998 112.367 174.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.466 ' O ' ' HG2' ' A' ' 17' ' ' GLU . . . -57.19 -53.87 41.39 Favored Glycine 0 C--N 1.344 1.013 0 CA-C-N 115.069 -0.969 . . . . 64.349999999999994 113.771 -178.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -65.35 -32.81 74.65 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.401 0.519 . . . . 72.340000000000003 112.401 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.523 HG23 HG21 ' A' ' 30' ' ' ILE . 87.5 mt -68.14 -44.42 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 123.037 0.535 . . . . 74.109999999999999 111.053 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.448 ' NE1' ' HG2' ' A' ' 54' ' ' LYS . 51.9 t90 -66.49 -43.24 85.91 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 119.7 -0.191 . . . . 73.430000000000007 110.892 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 13' ' ' GLY . 44.4 mm-40 -64.83 -31.4 72.61 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 117.813 0.279 . . . . 71.349999999999994 111.203 178.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.66 -29.46 66.91 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.229 0.612 . . . . 75.329999999999998 111.694 173.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.5 mt -91.75 -10.94 38.22 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.664 0.786 . . . . 71.329999999999998 112.725 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -69.97 125.27 26.25 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 121.983 -0.448 . . . . 74.010000000000005 109.948 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.93 3.73 85.26 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-N 116.238 -0.437 . . . . 53.43 113.234 -174.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.9 p -112.39 152.73 28.29 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.473 0.709 . . . . 73.430000000000007 109.832 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -83.48 -7.27 59.57 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.009 0.524 . . . . 75.120000000000005 112.314 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.53 126.63 3.21 Favored Glycine 0 C--N 1.354 1.537 0 C-N-CA 123.014 0.34 . . . . 61.439999999999998 113.475 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mp -124.66 171.39 10.1 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.794 0.838 . . . . 72.129999999999995 110.804 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 65' ' ' PHE . 42.7 p -85.68 168.19 14.61 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.693 0.397 . . . . 65.319999999999993 110.478 176.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.439 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -65.43 -37.24 86.34 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 113.266 0.839 . . . . 75.420000000000002 113.266 -166.011 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -70.54 -32.31 69.69 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.714 0.806 . . . . 74.129999999999995 111.863 177.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -67.9 -41.33 82.85 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.257 0.623 . . . . 74.010000000000005 111.318 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.523 HG21 HG23 ' A' ' 15' ' ' ILE . 21.9 mt -67.67 -39.01 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 C-N-CA 122.879 0.472 . . . . 73.109999999999999 110.291 176.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -58.17 -32.71 68.49 Favored 'General case' 0 CA--C 1.559 1.327 0 C-N-CA 124.57 1.148 . . . . 75.519999999999996 111.333 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -66.5 -53.93 29.61 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.637 0.775 . . . . 75.219999999999999 111.299 169.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.66 -34.9 71.75 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.94 0.896 . . . . 72.129999999999995 112.568 -174.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.2 p -94.92 -18.55 21.02 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.274 1.029 . . . . 65.519999999999996 112.373 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 63.51 25.31 14.39 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 124.487 1.115 . . . . 73.430000000000007 112.613 -177.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.88 119.96 12.22 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.08 0.552 . . . . 74.230000000000004 110.306 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -71.71 -32.37 67.73 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 112.581 0.585 . . . . 74.140000000000001 112.581 -170.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.62 143.69 44.99 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 121.446 0.641 . . . . 71.549999999999997 110.681 173.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -66.85 -24.62 66.17 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.761 0.824 . . . . 75.329999999999998 110.662 170.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -61.27 -45.29 95.13 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.408 1.083 . . . . 74.439999999999998 113.023 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -75.74 -28.12 58.38 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.041 0.448 . . . . 55.520000000000003 110.771 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 81.6 t80 -58.97 -39.89 83.13 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.497 0.719 . . . . 73.239999999999995 111.165 167.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.551 ' HE2' ' HD2' ' B' ' 40' ' ' LYS . 22.0 m-85 -65.94 -32.95 74.74 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 122.758 0.423 . . . . 74.230000000000004 111.961 177.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -68.21 -39.25 82.44 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.994 0.517 . . . . 73.129999999999995 110.933 173.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.416 ' HA3' HD13 ' A' ' 15' ' ' ILE . . . -71.19 -62.13 3.65 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 116.337 -0.392 . . . . 54.210000000000001 113.38 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.443 HD11 HG11 ' A' ' 66' ' ' VAL . 58.0 tp -56.66 -34.2 67.12 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 124.364 1.066 . . . . 73.200000000000003 112.339 175.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.9 -32.48 82.85 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 116.122 -0.49 . . . . 54.210000000000001 112.458 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.527 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 38.1 t-105 -75.83 -24.32 55.81 Favored 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 123.16 0.584 . . . . 75.109999999999999 110.985 172.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.572 HD21 HG12 ' A' ' 55' ' ' VAL . 6.6 mp -67.42 -30.47 70.24 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.879 -0.513 . . . . 75.329999999999998 111.136 169.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.517 HD23 HG21 ' A' ' 57' ' ' THR . 89.7 mt -75.37 -33.98 61.09 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.63 0.772 . . . . 74.420000000000002 111.252 171.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HG2' ' HA ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -55.75 -45.85 77.95 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.245 1.018 . . . . 73.109999999999999 109.922 170.447 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -77.37 -22.44 51.7 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 123.881 0.872 . . . . 72.329999999999998 111.18 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.0 t70 62.7 22.1 13.14 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.746 1.219 . . . . 73.420000000000002 110.727 -173.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.448 ' HG2' ' NE1' ' A' ' 16' ' ' TRP . 23.3 ttpp -88.93 1.96 54.59 Favored 'General case' 0 CA--C 1.565 1.552 0 C-N-CA 125.075 1.35 . . . . 73.040000000000006 112.199 -174.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.572 HG12 HD21 ' A' ' 49' ' ' LEU . 33.6 m -134.07 169.07 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 CA-C-O 121.444 0.64 . . . . 72.239999999999995 111.814 169.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.4 t -117.13 130.53 71.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 C-N-CA 124.897 1.279 . . . . 75.5 109.668 172.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.517 HG21 HD23 ' A' ' 50' ' ' LEU . 21.2 p -103.43 133.53 48.33 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.395 0.678 . . . . 73.030000000000001 110.864 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.0 t -144.27 169.75 17.3 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.256 1.022 . . . . 72.209999999999994 110.293 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.449 ' HB2' HD11 ' B' ' 4' ' ' LEU . 32.2 tt0 -114.31 114.78 26.39 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.97 0.908 . . . . 74.310000000000002 109.937 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.586 HG11 ' HG2' ' A' ' 61' ' ' GLU . 76.1 t -131.71 127.91 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 123.477 0.711 . . . . 73.540000000000006 109.648 174.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.586 ' HG2' HG11 ' A' ' 60' ' ' VAL . 10.8 mm-40 62.73 31.33 16.66 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.164 1.386 . . . . 72.510000000000005 112.46 176.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 73.05 20.53 80.0 Favored Glycine 0 C--N 1.354 1.575 0 CA-C-N 116.256 -0.429 . . . . 53.200000000000003 114.007 -178.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -136.37 162.87 31.84 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.127 0.571 . . . . 75.549999999999997 111.357 -177.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.406 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 56.0 mt -72.23 104.75 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.117 0 C-N-CA 123.574 0.75 . . . . 75.230000000000004 110.553 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.423 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 86.0 t80 -100.73 121.27 41.38 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.716 0.806 . . . . 75.129999999999995 109.377 173.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.443 HG11 HD11 ' A' ' 46' ' ' LEU . 22.7 m -124.66 156.93 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-O 121.563 0.697 . . . . 63.130000000000003 111.695 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -143.81 159.44 42.52 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 114.713 -1.13 . . . . 63.439999999999998 108.812 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.0 mt -73.92 158.8 33.77 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 118.201 0.455 . . . . 73.420000000000002 110.808 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 51.2 t -79.2 80.45 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 108.29 -1.004 . . . . 74.340000000000003 108.29 168.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -97.03 125.7 41.65 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 114.49 -1.232 . . . . 65.340000000000003 110.718 -172.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -113.93 -3.04 13.43 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 113.213 0.82 . . . . 74.439999999999998 113.213 -172.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -62.52 -39.59 94.04 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 122.822 0.449 . . . . 71.450000000000003 110.791 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -152.57 123.72 7.58 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.832 0.853 . . . . 71.430000000000007 109.611 175.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -73.97 130.26 39.52 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 122.907 0.483 . . . . 73.150000000000006 111.5 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -84.29 116.93 23.25 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.978 0.511 . . . . 73.109999999999999 109.895 176.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -79.02 5.37 11.94 Favored 'General case' 0 CA--C 1.567 1.597 0 C-N-CA 123.801 0.84 . . . . 74.430000000000007 112.87 -171.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.6 p80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 121.492 0.663 . . . . 72.310000000000002 111.014 170.587 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 61.5 mtt . . . . . 0 CA--C 1.551 0.997 0 CA-C-O 120.688 0.28 . . . . 65.219999999999999 111.301 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.457 ' HB3' ' HZ2' ' B' ' 2' ' ' LYS . 8.8 mtpm? -77.86 -3.14 40.1 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.144 0.978 . . . . 62.130000000000003 112.458 -178.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.647 ' HB2' ' HG2' ' B' ' 6' ' ' GLU . 89.6 mmm -86.91 138.12 31.8 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.197 0.599 . . . . 75.549999999999997 110.396 176.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.479 ' HB2' ' HB ' ' A' ' 57' ' ' THR . 8.3 mp -68.12 -17.88 64.48 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 122.975 0.51 . . . . 73.030000000000001 111.276 176.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -65.4 -43.51 90.38 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.075 0.95 . . . . 74.540000000000006 110.617 169.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.647 ' HG2' ' HB2' ' B' ' 3' ' ' MET . 11.3 mm-40 -74.76 -27.73 60.46 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 115.552 -0.749 . . . . 73.219999999999999 111.474 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.516 ' HZ3' HD22 ' B' ' 11' ' ' LEU . 5.9 tmtt? -62.26 -50.9 69.85 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 123.995 0.918 . . . . 74.129999999999995 109.109 174.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.11 -43.33 95.7 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.15 0.98 . . . . 75.129999999999995 112.052 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.31 -35.79 90.78 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 115.871 -0.604 . . . . 62.310000000000002 114.308 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.44 -32.3 71.17 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.371 0.669 . . . . 71.299999999999997 112.222 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.516 HD22 ' HZ3' ' B' ' 7' ' ' LYS . 89.8 mt -76.6 -28.21 56.08 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.153 0.581 . . . . 75.439999999999998 111.584 175.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.89 -55.7 29.47 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.054 1.131 . . . . 74.230000000000004 114.054 -174.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.4 -50.75 63.72 Favored Glycine 0 CA--C 1.537 1.449 0 N-CA-C 114.541 0.576 . . . . 71.230000000000004 114.541 -176.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -65.03 -36.95 86.0 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.679 0.792 . . . . 63.340000000000003 112.997 -178.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.9 -44.74 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 C-N-CA 122.805 0.442 . . . . 74.400000000000006 110.471 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -54.7 -45.27 73.98 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.743 0.817 . . . . 75.129999999999995 111.094 175.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.02 -25.93 66.53 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.921 0.888 . . . . 74.239999999999995 112.291 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.63 -40.21 76.67 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.791 0.436 . . . . 63.310000000000002 111.282 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.449 HD23 HG11 ' B' ' 66' ' ' VAL . 9.0 mp -79.37 -17.99 53.32 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.417 0.687 . . . . 75.120000000000005 112.121 176.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -67.28 127.09 31.34 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.725 0.41 . . . . 62.130000000000003 110.661 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.0 -18.33 46.53 Favored Glycine 0 CA--C 1.538 1.473 0 CA-C-N 116.174 -0.466 . . . . 75.439999999999998 112.672 -173.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 24.4 p -112.63 170.96 7.82 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.589 0.756 . . . . 72.310000000000002 110.249 174.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -107.29 21.4 17.57 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 122.864 0.466 . . . . 75.439999999999998 110.708 174.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.8 142.34 3.7 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 114.072 177.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 94.4 mt -137.74 160.8 38.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.443 1.097 . . . . 71.239999999999995 110.15 174.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.408 ' H ' ' NE2' ' B' ' 29' ' ' GLN . 70.6 p -102.6 162.86 12.58 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.267 0.627 . . . . 64.109999999999999 110.509 173.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -59.77 -30.71 69.07 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 113.611 0.967 . . . . 73.019999999999996 113.611 -170.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -66.23 -41.49 89.98 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.061 0.944 . . . . 72.150000000000006 111.851 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . 0.408 ' NE2' ' H ' ' B' ' 26' ' ' THR . 49.3 mt-30 -67.8 -41.66 82.8 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.493 0.717 . . . . 74.040000000000006 111.18 178.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 23.7 mt -72.88 -33.84 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 115.556 -0.747 . . . . 71.340000000000003 111.072 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -56.56 -47.34 79.68 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.406 1.083 . . . . 75.209999999999994 111.038 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -70.8 -38.84 73.34 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.559 0.744 . . . . 75.239999999999995 112.665 175.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.66 -51.46 62.46 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.243 0.617 . . . . 71.0 112.365 -176.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 70.7 p -87.08 -16.84 34.37 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.963 0.905 . . . . 72.129999999999995 111.997 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm 60.3 31.97 20.59 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 124.432 1.093 . . . . 75.310000000000002 113.035 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.65 152.34 31.04 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.386 0.675 . . . . 61.43 111.668 176.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -69.57 -41.43 75.84 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.042 0.537 . . . . 75.109999999999999 112.074 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.05 161.63 36.91 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.584 0.707 . . . . 75.140000000000001 112.082 -177.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -71.33 -26.05 62.66 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 115.085 -0.961 . . . . 72.409999999999997 110.797 170.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.551 ' HD2' ' HE2' ' A' ' 43' ' ' PHE . 34.2 mmtp -59.84 -45.44 92.4 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.337 1.055 . . . . 75.319999999999993 113.328 -178.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -75.87 -33.87 59.99 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.554 0.342 . . . . 70.150000000000006 110.342 177.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -54.66 -38.48 66.99 Favored 'General case' 0 CA--C 1.564 1.482 0 C-N-CA 123.693 0.797 . . . . 74.239999999999995 112.071 171.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -62.42 -34.69 77.25 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 122.844 0.457 . . . . 72.329999999999998 112.11 177.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.43 -36.04 71.14 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.383 0.673 . . . . 73.420000000000002 110.619 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . 0.445 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -66.22 -55.62 17.83 Favored Glycine 0 CA--C 1.538 1.515 0 CA-C-N 116.194 -0.457 . . . . 74.430000000000007 113.305 178.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.24 -28.66 68.9 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.319 0.647 . . . . 73.219999999999999 110.416 178.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.99 -37.8 94.7 Favored Glycine 0 C--N 1.347 1.184 0 CA-C-N 115.665 -0.698 . . . . 70.099999999999994 111.705 176.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' TRP . . . . . 0.526 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 33.1 t-105 -69.35 -29.49 67.31 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 122.777 0.431 . . . . 74.430000000000007 110.761 175.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.459 HD22 HG12 ' B' ' 55' ' ' VAL . 5.3 mp -64.41 -33.22 75.37 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 122.999 0.519 . . . . 71.420000000000002 111.492 171.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.0 mt -69.5 -35.47 75.56 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.56 0.744 . . . . 75.310000000000002 112.281 175.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' B' ' 48' ' ' TRP . 1.6 ppt_? -71.73 -29.35 64.44 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 118.172 0.442 . . . . 74.310000000000002 110.662 177.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -81.69 -12.3 58.7 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.94 0.896 . . . . 71.200000000000003 111.882 175.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 64.18 18.74 11.44 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 125.127 1.371 . . . . 73.409999999999997 112.249 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.52 ' HB2' ' HZ3' ' B' ' 54' ' ' LYS . 10.2 mtmp? -86.38 -2.22 58.23 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.838 0.681 . . . . 72.120000000000005 112.838 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.596 ' HA ' ' H ' ' B' ' 69' ' ' VAL . 33.3 m -138.67 167.03 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 CA-C-O 121.908 0.861 . . . . 71.340000000000003 112.427 176.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.68 HG11 ' HZ1' ' B' ' 67' ' ' LYS . 8.0 p -144.95 143.69 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 CA-C-N 114.132 -1.394 . . . . 55.439999999999998 109.137 171.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 73.7 p -109.27 149.47 29.39 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.394 0.677 . . . . 71.230000000000004 111.488 -170.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 66.7 m -146.84 170.53 16.85 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.495 1.118 . . . . 60.509999999999998 110.161 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -117.36 107.04 13.88 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.436 -0.579 . . . . 75.400000000000006 109.436 172.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 42.1 t -115.74 116.33 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 123.593 0.757 . . . . 75.200000000000003 109.571 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 58.51 31.46 21.03 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.614 1.166 . . . . 72.219999999999999 112.804 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.05 8.9 87.23 Favored Glycine 0 CA--C 1.542 1.765 0 N-CA-C 114.562 0.585 . . . . 74.120000000000005 114.562 -176.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -103.23 144.08 31.8 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.07 0.948 . . . . 73.439999999999998 111.702 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 54.3 mt -72.1 101.14 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-O 121.12 0.486 . . . . 72.519999999999996 109.715 170.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -103.26 101.68 11.62 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 123.941 0.896 . . . . 71.140000000000001 110.315 -174.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.449 HG11 HD23 ' B' ' 19' ' ' LEU . 7.4 p -106.17 138.81 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 123.721 0.808 . . . . 74.209999999999994 110.088 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.68 ' HZ1' HG11 ' B' ' 56' ' ' VAL . 0.0 OUTLIER -145.09 149.46 35.1 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 112.236 0.458 . . . . 75.310000000000002 112.236 -173.629 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 42.7 mt -71.06 78.08 0.67 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.557 0.743 . . . . 72.200000000000003 112.251 -175.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.596 ' H ' ' HA ' ' B' ' 55' ' ' VAL . 13.6 p 28.84 62.09 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 C-N-CA 126.442 1.897 . . . . 65.25 113.223 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.492 HD23 ' HG3' ' B' ' 67' ' ' LYS . 1.5 pt? -66.1 122.75 18.13 Favored 'General case' 0 CA--C 1.557 1.25 0 CA-C-N 114.392 -1.276 . . . . 71.040000000000006 113.321 -163.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -73.56 -10.99 60.28 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 115.636 -0.711 . . . . 75.209999999999994 110.574 164.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -66.2 106.39 1.65 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.737 1.215 . . . . 72.439999999999998 109.939 172.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -71.43 85.02 0.82 Allowed 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.516 0.674 . . . . 71.430000000000007 111.47 -175.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -79.52 -16.75 55.45 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 124.525 1.13 . . . . 74.319999999999993 111.235 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -70.86 95.15 1.12 Allowed 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 124.2 1.0 . . . . 71.5 110.244 174.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -119.85 145.09 46.97 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.912 0.885 . . . . 61.109999999999999 110.945 176.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 22.9 t60 . . . . . 0 N--CA 1.483 1.199 0 CA-C-O 121.824 0.821 . . . . 70.019999999999996 109.317 178.401 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.363 -0.606 . . . . 74.299999999999997 109.363 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -80.55 81.8 6.72 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 122.33 1.062 . . . . 74.140000000000001 111.034 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.55 141.32 35.22 Favored 'General case' 0 CA--C 1.561 1.401 0 C-N-CA 123.499 0.72 . . . . 73.109999999999999 110.089 -176.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.418 HD21 ' HD2' ' A' ' 7' ' ' LYS . 2.1 tm? -61.78 -33.66 74.5 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 123.652 0.781 . . . . 71.040000000000006 109.967 178.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -67.71 -36.76 81.2 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.548 0.739 . . . . 75.340000000000003 111.416 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -68.49 -42.5 78.54 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.763 0.653 . . . . 72.420000000000002 112.763 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' HD2' HD21 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -66.99 -41.83 86.07 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 117.58 0.173 . . . . 74.420000000000002 111.347 177.794 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.78 87.01 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.34 0.656 . . . . 75.030000000000001 111.181 177.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.44 -38.09 79.65 Favored Glycine 0 CA--C 1.536 1.395 0 CA-C-N 115.081 -0.963 . . . . 74.230000000000004 113.795 175.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.37 -51.4 60.69 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.619 0.768 . . . . 73.430000000000007 111.713 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 67.2 mt -61.01 -32.94 72.52 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.984 0.914 . . . . 72.109999999999999 111.216 178.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.453 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -60.29 -40.72 91.47 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.778 0.831 . . . . 52.210000000000001 113.152 177.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.83 -49.85 74.08 Favored Glycine 0 CA--C 1.535 1.334 0 CA-C-N 115.944 -0.571 . . . . 75.450000000000003 114.339 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -68.6 -36.79 79.17 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.153 0.581 . . . . 72.420000000000002 112.11 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.549 HG23 HG22 ' A' ' 30' ' ' ILE . 74.9 mt -64.65 -44.86 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 C-N-CA 123.077 0.551 . . . . 74.530000000000001 111.391 178.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -61.53 -45.91 92.21 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.017 0.527 . . . . 75.400000000000006 111.465 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -65.15 -39.46 93.02 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 123.808 0.843 . . . . 73.329999999999998 110.795 -176.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.33 -33.32 75.69 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.384 0.674 . . . . 73.420000000000002 111.974 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.0 mt -85.67 -15.37 42.56 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.887 0.875 . . . . 74.519999999999996 112.281 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -66.76 119.22 11.45 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 122.738 0.415 . . . . 65.019999999999996 111.554 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.45 12.29 83.94 Favored Glycine 0 CA--C 1.54 1.635 0 CA-C-N 115.827 -0.624 . . . . 70.129999999999995 113.864 -173.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.545 HG23 ' H ' ' A' ' 24' ' ' GLY . 15.1 m -106.33 147.11 29.58 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.583 0.753 . . . . 62.340000000000003 110.459 178.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.24 -33.38 70.95 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 123.6 0.76 . . . . 74.230000000000004 111.997 174.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.545 ' H ' HG23 ' A' ' 22' ' ' THR . . . 140.97 141.98 4.07 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-N 115.276 -0.875 . . . . 63.240000000000002 110.928 -174.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.439 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 95.2 mt -129.04 151.64 49.51 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 117.704 0.752 . . . . 73.120000000000005 110.434 -178.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.0 p -74.2 164.15 26.97 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 110.3 -0.259 . . . . 70.219999999999999 110.3 173.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.478 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 20.3 pt20 -54.07 -33.49 57.66 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.206 0.603 . . . . 73.010000000000005 112.349 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 53.6 mtpt -69.04 -47.23 65.91 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.001 0.921 . . . . 71.25 112.204 174.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.439 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 86.6 mm-40 -65.04 -41.39 95.25 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.662 0.785 . . . . 71.420000000000002 112.83 -176.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.549 HG22 HG23 ' A' ' 15' ' ' ILE . 70.2 mt -60.82 -47.18 94.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.252 0.621 . . . . 64.340000000000003 111.453 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 27' ' ' GLN . 32.5 mtmm -62.35 -26.55 68.51 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 112.998 0.74 . . . . 73.349999999999994 112.998 -176.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -69.79 -50.48 42.62 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-O 120.481 0.181 . . . . 73.150000000000006 110.53 173.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.43 -33.12 75.21 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.47 0.708 . . . . 72.450000000000003 112.708 -177.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.4 p -88.74 -18.71 27.23 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.266 1.026 . . . . 73.010000000000005 112.168 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm 69.16 35.89 2.57 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 125.184 1.394 . . . . 74.310000000000002 111.448 -177.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt -71.95 160.59 32.26 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.387 0.675 . . . . 74.549999999999997 111.687 171.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -89.34 -52.6 4.96 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.418 0.687 . . . . 74.219999999999999 111.972 -176.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.88 163.54 32.37 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.438 0.695 . . . . 72.340000000000003 111.393 -170.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -64.08 -27.31 69.01 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 116.077 -0.51 . . . . 72.150000000000006 111.419 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -53.66 -50.79 65.02 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.428 1.091 . . . . 70.329999999999998 113.138 177.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -74.45 -29.98 61.7 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.778 0.431 . . . . 63.32 111.092 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -59.53 -39.2 83.12 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.895 0.478 . . . . 74.219999999999999 111.956 172.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -63.37 -31.83 73.1 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 123.123 0.569 . . . . 71.329999999999998 112.021 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -74.16 -40.9 62.26 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.248 0.619 . . . . 74.329999999999998 111.339 174.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.425 ' O ' HD12 ' A' ' 49' ' ' LEU . . . -65.36 -58.38 9.6 Favored Glycine 0 C--N 1.352 1.419 0 O-C-N 123.14 0.275 . . . . 64.120000000000005 113.202 176.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.0 tp -57.9 -35.59 71.25 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.121 0.968 . . . . 71.430000000000007 112.155 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.38 -31.73 81.84 Favored Glycine 0 N--CA 1.477 1.407 0 CA-C-O 121.362 0.423 . . . . 73.510000000000005 112.298 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.453 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 39.0 t-105 -71.9 -40.28 68.98 Favored 'General case' 0 CA--C 1.558 1.267 0 CA-C-N 115.204 -0.498 . . . . 73.349999999999994 110.242 171.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.674 HD23 HG12 ' A' ' 55' ' ' VAL . 6.4 mp -58.03 -31.0 66.58 Favored 'General case' 0 N--CA 1.499 1.985 0 C-N-CA 123.33 0.652 . . . . 71.400000000000006 111.978 174.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.0 mt -67.59 -44.95 76.92 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.231 0.612 . . . . 74.329999999999998 111.324 174.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' HG3' ' HA ' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -73.66 -18.54 61.01 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 111.914 0.338 . . . . 73.230000000000004 111.914 177.144 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -83.71 -17.98 39.48 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.851 0.86 . . . . 72.310000000000002 111.201 174.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 63.72 17.73 10.65 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 125.022 1.329 . . . . 72.200000000000003 112.672 176.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -99.53 9.41 43.26 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.671 0.788 . . . . 71.439999999999998 112.37 -173.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.674 HG12 HD23 ' A' ' 49' ' ' LEU . 29.4 m -134.74 161.7 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 N-CA-C 113.409 0.892 . . . . 74.230000000000004 113.409 174.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.1 p -143.13 132.75 21.34 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 CA-C-N 114.153 -1.385 . . . . 75.299999999999997 109.508 167.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 60.1 p -110.06 131.19 55.28 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 121.06 0.457 . . . . 73.540000000000006 111.251 -169.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.528 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 14.9 m -85.9 143.97 27.92 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.23 1.012 . . . . 72.349999999999994 109.723 173.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -96.55 103.05 14.93 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 109.237 -0.653 . . . . 75.150000000000006 109.237 174.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.6 t -109.64 105.01 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 116.006 -0.543 . . . . 73.420000000000002 109.571 178.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 42.4 45.52 3.79 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 125.41 1.484 . . . . 74.519999999999996 114.51 177.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.3 8.39 83.6 Favored Glycine 0 CA--C 1.542 1.741 0 N-CA-C 115.065 0.786 . . . . 62.450000000000003 115.065 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -113.68 145.22 41.66 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.312 1.045 . . . . 71.150000000000006 111.138 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.3 mt -82.3 124.42 39.22 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 123.54 0.736 . . . . 73.439999999999998 109.986 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.528 ' HB3' ' HB2' ' A' ' 58' ' ' SER . 73.6 t80 -119.22 103.36 9.44 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.031 0.932 . . . . 75.329999999999998 108.953 176.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.1 t -94.33 131.61 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 O-C-N 121.571 -0.706 . . . . 72.129999999999995 111.496 -168.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -123.98 148.51 46.89 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.512 0.725 . . . . 74.310000000000002 109.068 175.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.428 HD22 HG11 ' A' ' 55' ' ' VAL . 38.8 mt -85.0 141.02 30.61 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 118.096 0.407 . . . . 74.019999999999996 111.304 175.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.8 t -64.7 120.57 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 C-N-CA 123.155 0.582 . . . . 75.209999999999994 109.451 167.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 78.4 mt -69.7 90.18 0.57 Allowed 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 121.106 0.479 . . . . 74.129999999999995 112.076 -173.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -77.22 -51.73 10.44 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.873 0.869 . . . . 71.109999999999999 109.979 173.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -135.73 179.77 6.14 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.09 0.956 . . . . 73.010000000000005 110.449 177.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -126.63 160.14 31.58 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.346 0.659 . . . . 72.420000000000002 111.895 -175.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -131.08 145.93 52.18 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.871 0.868 . . . . 61.219999999999999 110.874 -178.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -84.34 -16.23 43.66 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.076 0.55 . . . . 74.430000000000007 111.062 168.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -123.44 -156.57 0.71 Allowed 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 124.53 1.132 . . . . 71.129999999999995 109.333 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 121.666 0.745 . . . . 73.239999999999995 110.721 177.598 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.4 mtt . . . . . 0 CA--C 1.549 0.922 0 CA-C-O 120.823 0.345 . . . . 72.200000000000003 111.181 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -138.31 88.35 2.3 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.799 0.84 . . . . 74.140000000000001 110.35 -179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.409 ' HG3' ' H ' ' B' ' 5' ' ' LYS . 11.5 tpt -162.84 151.48 14.52 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-O 121.249 0.547 . . . . 74.420000000000002 112.069 -172.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 mp -56.89 -43.06 80.94 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.768 0.827 . . . . 74.109999999999999 110.938 172.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.409 ' H ' ' HG3' ' B' ' 3' ' ' MET . 24.5 ttmm -56.47 -44.84 80.98 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.123 0.969 . . . . 74.150000000000006 112.138 171.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -57.86 -55.91 28.81 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.036 0.934 . . . . 73.409999999999997 111.886 -175.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.47 ' HZ2' HD11 ' B' ' 11' ' ' LEU . 0.0 OUTLIER -65.65 -34.19 77.65 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.087 -0.506 . . . . 73.230000000000004 111.828 177.381 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.08 92.41 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 123.908 0.883 . . . . 61.109999999999999 112.472 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.54 -39.58 90.96 Favored Glycine 0 CA--C 1.534 1.268 0 CA-C-N 116.06 -0.518 . . . . 73.5 113.567 177.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.1 75.17 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.341 0.657 . . . . 74.530000000000001 111.769 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.47 HD11 ' HZ2' ' B' ' 7' ' ' LYS . 69.7 mt -74.85 -31.85 61.74 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.786 0.835 . . . . 70.150000000000006 111.753 175.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.44 -53.46 50.96 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.768 0.827 . . . . 64.239999999999995 113.018 -177.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.83 -31.49 76.05 Favored Glycine 0 CA--C 1.54 1.618 0 CA-C-N 115.752 -0.658 . . . . 74.230000000000004 114.309 176.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.439 HE21 ' HA ' ' B' ' 11' ' ' LEU . 42.2 mt-30 -74.14 -49.62 22.95 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.441 0.697 . . . . 75.510000000000005 112.018 -178.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.13 -38.01 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 C-N-CA 123.368 0.667 . . . . 75.129999999999995 110.264 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -58.65 -48.3 81.52 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.91 0.884 . . . . 75.040000000000006 110.653 173.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.77 -39.2 87.91 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.224 1.01 . . . . 75.299999999999997 111.786 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.89 -33.39 75.6 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.302 0.641 . . . . 74.230000000000004 111.809 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 90.6 mt -86.5 -20.16 28.47 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.802 0.841 . . . . 73.519999999999996 112.473 177.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -68.19 119.62 13.05 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.637 0.375 . . . . 75.140000000000001 110.83 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.99 7.37 70.56 Favored Glycine 0 CA--C 1.538 1.494 0 N-CA-C 114.617 0.607 . . . . 73.019999999999996 114.617 -177.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 53.8 p -117.33 165.2 13.76 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.412 0.685 . . . . 72.430000000000007 110.815 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -84.59 -10.28 57.53 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.398 0.679 . . . . 73.540000000000006 110.572 173.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.02 145.6 4.7 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 115.936 -0.575 . . . . 75.340000000000003 112.281 -176.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 90.7 mt -133.34 159.4 40.38 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.456 0.702 . . . . 73.340000000000003 110.735 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 42.5 p -84.83 161.6 19.87 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.253 0.621 . . . . 75.230000000000004 110.809 174.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -54.13 -37.79 64.74 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.556 0.742 . . . . 70.230000000000004 112.789 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -60.32 -52.61 64.54 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.742 0.817 . . . . 74.049999999999997 112.294 174.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -70.73 -31.93 68.94 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 112.854 0.686 . . . . 74.549999999999997 112.854 -172.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.73 -41.84 93.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.137 0.575 . . . . 72.019999999999996 111.286 176.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -59.63 -31.41 69.48 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 112.434 0.531 . . . . 74.219999999999999 112.434 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.55 -52.02 55.53 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 109.434 -0.58 . . . . 75.219999999999999 109.434 176.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.02 -29.34 66.37 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.991 0.737 . . . . 75.120000000000005 112.991 -175.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 69.9 p -83.45 -17.86 40.63 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.637 0.775 . . . . 72.109999999999999 112.795 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? 72.89 39.33 0.66 Allowed 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 124.758 1.223 . . . . 74.219999999999999 109.011 -174.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 93.9 mt -103.44 -177.97 3.53 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.492 1.117 . . . . 71.209999999999994 110.784 167.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -148.92 -28.02 0.29 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.674 0.79 . . . . 73.219999999999999 111.304 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.26 130.87 45.58 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.706 0.802 . . . . 74.140000000000001 111.191 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.18 -22.99 65.25 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.794 0.837 . . . . 64.109999999999999 111.68 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -50.67 -54.52 22.34 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.914 1.285 . . . . 73.25 113.071 174.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.38 -33.06 73.58 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.532 0.733 . . . . 73.430000000000007 110.744 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -62.34 -41.74 98.82 Favored 'General case' 0 CA--C 1.562 1.409 0 CA-C-N 115.431 -0.804 . . . . 73.209999999999994 112.07 175.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -65.31 -40.44 93.77 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 122.722 0.409 . . . . 74.030000000000001 111.814 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -74.09 -28.71 61.5 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 122.97 0.508 . . . . 72.540000000000006 111.697 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . 0.491 ' O ' HD12 ' B' ' 49' ' ' LEU . . . -72.63 -63.43 2.89 Favored Glycine 0 C--N 1.353 1.514 0 N-CA-C 112.771 -0.132 . . . . 70.099999999999994 112.771 173.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 50.2 tp -53.02 -43.6 66.68 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.94 1.296 . . . . 75.439999999999998 113.044 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.99 -30.97 79.43 Favored Glycine 0 N--CA 1.476 1.343 0 CA-C-N 115.87 -0.605 . . . . 70.209999999999994 113.101 -176.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' TRP . . . . . 0.486 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 32.1 t-105 -69.12 -33.66 73.82 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 123.563 0.745 . . . . 74.209999999999994 111.08 175.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.491 HD12 ' O ' ' B' ' 45' ' ' GLY . 3.7 mp -68.25 -29.06 67.78 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.706 0.803 . . . . 73.239999999999995 111.536 177.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.565 HD22 HG21 ' B' ' 57' ' ' THR . 96.6 mt -65.09 -34.95 79.64 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.721 0.809 . . . . 73.140000000000001 111.999 175.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' B' ' 48' ' ' TRP . 7.2 ptt180 -65.85 -34.53 78.36 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.191 0.52 . . . . 74.310000000000002 111.582 179.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -92.87 -8.3 43.81 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.738 0.815 . . . . 75.420000000000002 111.688 178.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 62.23 31.45 17.56 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 124.491 1.117 . . . . 75.530000000000001 112.344 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.407 ' HE3' ' HG ' ' B' ' 49' ' ' LEU . 48.0 mtmt -79.91 -16.89 54.39 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.602 0.761 . . . . 63.130000000000003 111.294 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.511 HG11 HD22 ' B' ' 68' ' ' LEU . 33.7 m -134.74 164.11 34.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 123.761 0.824 . . . . 74.209999999999994 111.298 179.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.2 p -133.32 133.87 57.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-N 115.004 -0.998 . . . . 74.310000000000002 109.549 173.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' THR . . . . . 0.645 ' HA ' HG13 ' B' ' 66' ' ' VAL . 60.9 p -104.4 143.79 32.52 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.94 0.896 . . . . 74.439999999999998 111.474 -169.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 34.3 t -146.35 166.6 25.83 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.523 0.729 . . . . 64.439999999999998 110.693 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -112.99 104.97 12.93 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.912 0.885 . . . . 64.439999999999998 109.887 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 48.5 t -121.54 122.44 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 123.543 0.737 . . . . 75.040000000000006 111.202 -176.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 51.64 37.12 19.1 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.336 1.454 . . . . 72.349999999999994 113.867 172.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.61 -3.88 68.73 Favored Glycine 0 CA--C 1.536 1.392 0 N-CA-C 115.34 0.896 . . . . 63.219999999999999 115.34 174.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -138.68 174.35 10.62 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.38 1.09 . . . . 70.530000000000001 112.38 177.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 55.0 mt -79.56 122.42 34.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 C-N-CA 123.602 0.761 . . . . 74.549999999999997 111.346 -173.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -121.25 118.97 30.93 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.339 1.056 . . . . 75.200000000000003 109.008 177.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.645 HG13 ' HA ' ' B' ' 57' ' ' THR . 32.6 m -130.84 160.93 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.739 0.816 . . . . 75.519999999999996 111.424 -170.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.63 162.93 40.52 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 122.737 0.415 . . . . 73.319999999999993 110.821 177.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.511 HD22 HG11 ' B' ' 55' ' ' VAL . 63.5 mt -69.22 135.73 50.98 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.744 0.418 . . . . 71.109999999999999 111.414 178.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 98.9 t -74.8 83.02 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 N-CA-C 109.825 -0.435 . . . . 72.209999999999994 109.825 171.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 92.5 mt -65.2 -16.93 64.05 Favored 'General case' 0 CA--C 1.559 1.293 0 O-C-N 121.985 -0.447 . . . . 74.319999999999993 111.271 176.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.32 -23.71 57.38 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 125.198 1.399 . . . . 64.430000000000007 113.446 175.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -62.15 -17.39 57.79 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 112.573 0.583 . . . . 71.209999999999994 112.573 175.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -122.22 65.99 0.93 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.831 0.852 . . . . 72.349999999999994 109.255 166.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -63.71 96.15 0.12 Allowed 'General case' 0 CA--C 1.557 1.236 0 CA-C-N 115.782 -0.645 . . . . 75.409999999999997 110.399 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -85.2 105.75 16.12 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.987 0.915 . . . . 74.209999999999994 110.869 -174.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -96.12 129.56 43.38 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.365 0.666 . . . . 74.129999999999995 110.276 177.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 N--CA 1.482 1.148 0 C-N-CA 123.776 0.83 . . . . 74.430000000000007 111.848 -179.556 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.8 mtp . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 120.431 0.157 . . . . 75.299999999999997 111.14 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -116.64 -16.65 10.7 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.13 0.572 . . . . 75.409999999999997 111.471 175.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 85.2 mtp -73.18 172.22 11.52 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.652 0.781 . . . . 75.420000000000002 112.782 -175.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.42 -13.83 33.93 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 113.075 0.769 . . . . 73.420000000000002 113.075 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -60.99 -41.33 96.26 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.625 0.77 . . . . 74.030000000000001 111.308 168.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -68.21 -38.38 81.88 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 124.166 0.987 . . . . 73.040000000000006 111.599 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.494 ' HZ1' HD22 ' A' ' 11' ' ' LEU . 10.4 tmtt? -66.3 -50.45 63.61 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.668 0.787 . . . . 70.420000000000002 109.823 178.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.37 -34.03 74.63 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.853 0.861 . . . . 73.129999999999995 111.952 175.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.29 -32.57 76.16 Favored Glycine 0 CA--C 1.543 1.831 0 CA-C-N 116.067 -0.515 . . . . 74.409999999999997 114.36 174.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.37 -38.93 71.53 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.226 0.61 . . . . 71.310000000000002 111.136 174.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.494 HD22 ' HZ1' ' A' ' 7' ' ' LYS . 74.3 mt -64.29 -36.28 83.59 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.235 -0.893 . . . . 75.409999999999997 110.942 172.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -63.57 -46.6 85.16 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.454 0.701 . . . . 73.409999999999997 112.504 177.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.41 -48.22 87.05 Favored Glycine 0 CA--C 1.535 1.31 0 O-C-N 123.91 0.756 . . . . 73.400000000000006 114.102 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -67.16 -35.72 80.3 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 123.325 0.65 . . . . 73.319999999999993 112.438 -179.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.0 mt -72.74 -42.1 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.322 0.649 . . . . 74.120000000000005 111.158 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 71.6 t90 -64.62 -49.34 71.46 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.269 0.628 . . . . 73.010000000000005 110.42 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -68.53 -23.07 64.49 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.522 0.729 . . . . 75.230000000000004 112.577 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.03 -34.89 79.04 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.989 -0.444 . . . . 62.130000000000003 111.534 171.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.609 HD12 HG12 ' A' ' 30' ' ' ILE . 8.4 mp -102.34 -9.65 20.16 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 114.088 1.144 . . . . 74.329999999999998 114.088 -177.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -65.37 127.16 30.65 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 119.745 1.157 . . . . 75.329999999999998 111.599 -176.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.42 20.2 57.17 Favored Glycine 0 CA--C 1.543 1.794 0 CA-C-N 116.094 -0.503 . . . . 72.219999999999999 113.978 -173.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.2 p -131.07 174.61 9.85 Favored 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 123.411 0.684 . . . . 74.540000000000006 110.605 176.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -13.08 50.07 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.756 0.822 . . . . 63.149999999999999 112.606 176.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.61 142.81 5.73 Favored Glycine 0 C--N 1.352 1.449 0 N-CA-C 113.642 0.217 . . . . 73.230000000000004 113.642 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.48 HD22 ' HG ' ' A' ' 19' ' ' LEU . 3.3 mm? -126.66 167.25 15.96 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 124.068 0.947 . . . . 74.099999999999994 111.191 -178.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.6 p -91.93 169.64 10.51 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.033 0.533 . . . . 63.119999999999997 110.84 174.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -55.33 -33.02 62.99 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.367 0.667 . . . . 73.340000000000003 111.972 177.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -56.29 -52.08 65.84 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.61 0.764 . . . . 71.230000000000004 112.422 175.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.459 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 1.8 mp0 -67.74 -39.05 84.25 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.948 0.499 . . . . 73.420000000000002 111.414 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.609 HG12 HD12 ' A' ' 19' ' ' LEU . 64.1 mt -64.77 -44.85 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.011 0.525 . . . . 62.32 110.803 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -66.94 -32.59 73.94 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.024 0.93 . . . . 75.439999999999998 111.624 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -68.85 -46.62 68.02 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.204 0.602 . . . . 75.010000000000005 110.08 176.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.68 -50.1 59.44 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.441 0.696 . . . . 72.140000000000001 111.938 -177.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 79.5 p -73.37 -24.6 60.34 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.217 1.007 . . . . 75.239999999999995 111.891 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt 66.51 29.0 9.28 Favored 'General case' 0 CA--C 1.57 1.733 0 C-N-CA 124.908 1.283 . . . . 71.219999999999999 110.833 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 pp -76.67 162.14 27.96 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.914 -0.491 . . . . 71.010000000000005 111.737 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -103.8 -58.19 1.92 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.1 0.56 . . . . 72.329999999999998 111.621 -175.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.79 147.69 22.8 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 121.221 0.534 . . . . 70.040000000000006 112.263 -171.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -59.83 -33.06 71.27 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.643 -0.708 . . . . 64.430000000000007 110.489 168.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -55.88 -53.16 60.21 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.231 1.412 . . . . 74.519999999999996 113.831 -175.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -73.3 -27.52 61.59 Favored 'General case' 0 N--CA 1.483 1.225 0 CA-C-O 120.713 0.292 . . . . 73.510000000000005 110.718 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -59.02 -41.25 87.33 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 123.013 0.525 . . . . 75.239999999999995 111.241 170.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.62 -32.52 73.28 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 112.549 0.574 . . . . 74.420000000000002 112.549 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -71.77 -31.49 66.69 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 122.503 0.321 . . . . 75.340000000000003 111.29 174.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.435 ' O ' HD12 ' A' ' 49' ' ' LEU . . . -75.06 -62.3 2.81 Favored Glycine 0 C--N 1.353 1.483 0 CA-C-N 116.619 -0.264 . . . . 44.329999999999998 113.246 175.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.565 HD11 HG22 ' A' ' 66' ' ' VAL . 58.5 tp -59.6 -33.55 71.61 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.271 1.029 . . . . 72.510000000000005 112.168 177.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.21 -31.23 74.3 Favored Glycine 0 N--CA 1.472 1.079 0 CA-C-N 115.821 -0.627 . . . . 62.32 112.322 176.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.576 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 29.1 t-105 -70.34 -33.61 71.68 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 122.613 0.365 . . . . 63.210000000000001 110.318 172.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 45' ' ' GLY . 6.8 mp -65.51 -33.02 74.96 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.088 0.555 . . . . 74.329999999999998 111.528 173.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.3 mt -68.49 -43.21 77.36 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.534 0.733 . . . . 73.209999999999994 111.372 173.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.906 ' HB2' ' HB3' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -73.52 -18.43 61.09 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 120.857 0.36 . . . . 71.430000000000007 111.886 179.033 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.504 ' HB3' ' NZ ' ' A' ' 54' ' ' LYS . 45.2 mm-40 -93.0 -6.31 48.66 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.987 0.915 . . . . 61.299999999999997 112.144 173.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 63.35 13.44 7.05 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 125.001 1.32 . . . . 65.099999999999994 112.923 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.504 ' NZ ' ' HB3' ' A' ' 52' ' ' GLU . 28.1 mtmm -95.16 16.68 15.87 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.585 0.754 . . . . 75.530000000000001 112.855 -174.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.403 HG11 HD21 ' A' ' 68' ' ' LEU . 17.4 m -138.13 153.84 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 113.786 1.032 . . . . 74.219999999999999 113.786 170.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.7 t -113.17 124.67 70.04 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-N 114.11 -1.405 . . . . 72.329999999999998 108.638 163.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.5 p -103.2 150.62 23.52 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.19 0.596 . . . . 73.109999999999999 111.774 -175.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.8 t -158.29 172.78 17.75 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.573 1.149 . . . . 74.230000000000004 110.325 -175.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -121.97 123.31 41.37 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.979 0.512 . . . . 72.0 110.995 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.3 t -114.92 114.11 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 123.907 0.883 . . . . 74.239999999999995 110.174 171.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 58.45 35.69 24.88 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 124.484 1.114 . . . . 73.030000000000001 112.934 173.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.91 9.9 86.22 Favored Glycine 0 N--CA 1.481 1.648 0 N-CA-C 114.152 0.421 . . . . 72.530000000000001 114.152 -177.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -114.02 144.78 42.55 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.963 0.905 . . . . 72.129999999999995 110.373 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.7 mt -70.93 106.24 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 122.883 0.473 . . . . 72.530000000000001 110.763 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -100.88 137.68 38.94 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.083 0.953 . . . . 73.209999999999994 109.49 174.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.565 HG22 HD11 ' A' ' 46' ' ' LEU . 9.5 p -140.81 152.3 20.58 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 O-C-N 122.081 -0.387 . . . . 75.129999999999995 111.459 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.544 ' HZ1' ' HB2' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -135.44 146.9 48.69 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.403 0.681 . . . . 73.519999999999996 109.894 176.091 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.403 HD21 HG11 ' A' ' 55' ' ' VAL . 45.0 mt -82.82 136.48 34.63 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 112.446 0.535 . . . . 74.219999999999999 112.446 -177.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.9 t -70.34 107.88 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 N-CA-C 107.645 -1.243 . . . . 74.230000000000004 107.645 157.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.481 HD23 ' H ' ' A' ' 70' ' ' LEU . 1.8 pt? -57.81 99.13 0.04 OUTLIER 'General case' 0 CA--C 1.561 1.371 0 CA-C-O 122.01 0.909 . . . . 72.530000000000001 112.359 -172.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -85.28 157.06 20.68 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.361 1.064 . . . . 75.109999999999999 110.038 175.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.2 m170 -68.44 159.04 32.41 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 122.759 0.424 . . . . 75.0 111.164 172.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -64.38 -24.21 67.56 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.073 0.549 . . . . 74.319999999999993 111.343 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -96.78 90.3 5.22 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 109.059 -0.719 . . . . 72.310000000000002 109.059 165.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -69.68 173.98 5.58 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.84 0.856 . . . . 74.299999999999997 112.423 178.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -87.96 155.47 19.82 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.196 0.598 . . . . 73.129999999999995 110.386 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 . . . . . 0 N--CA 1.488 1.459 0 CA-C-O 121.227 0.536 . . . . 71.319999999999993 110.846 -178.041 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mmm . . . . . 0 CA--C 1.549 0.94 0 CA-C-O 121.033 0.444 . . . . 65.230000000000004 111.251 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -77.82 -29.66 50.73 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.964 0.906 . . . . 74.129999999999995 112.353 -175.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 95.7 mmm -57.49 141.71 46.7 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.547 0.944 . . . . 71.329999999999998 113.547 -175.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.26 -17.11 64.23 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.717 0.807 . . . . 74.120000000000005 111.868 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -68.59 -43.54 76.27 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.833 0.853 . . . . 74.109999999999999 111.181 171.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -69.27 -33.32 73.04 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 115.838 -0.619 . . . . 75.299999999999997 110.876 177.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -63.61 -44.19 94.69 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 124.364 1.066 . . . . 71.549999999999997 110.303 172.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.07 -36.09 78.68 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 123.61 0.764 . . . . 64.25 111.846 173.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.71 -34.59 78.44 Favored Glycine 0 C--N 1.352 1.44 0 CA-C-N 115.883 -0.599 . . . . 74.319999999999993 113.41 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.91 -38.56 91.38 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.293 0.637 . . . . 73.010000000000005 111.007 175.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 69.4 mt -66.86 -41.26 87.62 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.253 -0.885 . . . . 73.510000000000005 111.018 174.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.06 -46.06 82.75 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.584 0.753 . . . . 72.239999999999995 112.793 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.89 -52.71 50.65 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-N 115.826 -0.624 . . . . 74.430000000000007 114.358 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -66.33 -40.54 89.95 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.178 0.591 . . . . 75.140000000000001 112.26 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.463 HD12 ' HA3' ' B' ' 45' ' ' GLY . 97.1 mt -65.17 -42.73 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 123.39 0.676 . . . . 73.200000000000003 111.081 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -61.07 -39.66 90.74 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 116.554 -0.294 . . . . 74.340000000000003 111.244 175.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.44 -25.55 66.79 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 112.854 0.687 . . . . 75.239999999999995 112.854 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.33 -36.37 83.85 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 121.021 0.438 . . . . 72.319999999999993 110.66 169.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.529 HD21 HG22 ' B' ' 66' ' ' VAL . 9.2 mp -85.61 -18.52 33.06 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.952 0.901 . . . . 75.510000000000005 112.564 177.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -64.33 122.03 15.72 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.665 0.786 . . . . 75.5 111.701 -174.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.87 -28.19 17.14 Favored Glycine 0 CA--C 1.536 1.373 0 CA-C-N 116.033 -0.53 . . . . 75.150000000000006 112.886 -174.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.2 m -101.26 172.45 6.99 Favored 'General case' 0 CA--C 1.564 1.493 0 C-N-CA 124.174 0.99 . . . . 71.310000000000002 109.767 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -106.17 -1.08 24.07 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.158 0.583 . . . . 63.409999999999997 112.105 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.89 132.36 1.33 Allowed Glycine 0 C--N 1.36 1.896 0 N-CA-C 114.298 0.479 . . . . 65.030000000000001 114.298 -173.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.469 HD11 ' HA ' ' B' ' 19' ' ' LEU . 7.4 mp -128.17 161.1 30.07 Favored 'General case' 0 N--CA 1.5 2.029 0 C-N-CA 124.055 0.942 . . . . 73.420000000000002 110.844 176.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 27.7 p -86.12 158.93 19.67 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 116.243 -0.435 . . . . 74.340000000000003 109.884 170.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -55.8 -42.84 76.21 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.257 0.623 . . . . 72.439999999999998 111.503 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -59.2 -41.36 88.35 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.664 0.786 . . . . 73.540000000000006 112.141 177.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -65.48 -41.8 92.92 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.453 0.701 . . . . 72.310000000000002 111.517 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.6 mt -67.02 -45.9 85.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 115.41 -0.813 . . . . 74.510000000000005 110.72 -178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.474 ' HZ1' ' HB3' ' B' ' 31' ' ' LYS . 9.3 mtpm? -61.22 -28.22 69.0 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.89 0.876 . . . . 74.209999999999994 111.964 177.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -70.27 -47.29 61.9 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 123.078 0.551 . . . . 71.329999999999998 111.469 171.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.64 -45.9 67.41 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.416 0.686 . . . . 61.0 112.784 -175.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 10.9 p -82.37 -19.05 39.96 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.401 1.08 . . . . 75.109999999999999 112.308 178.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt 60.46 56.66 3.06 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.006 0.923 . . . . 73.519999999999996 112.06 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' B' ' 41' ' ' ASP . 2.4 pt? -121.74 140.67 52.03 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 115.946 -0.57 . . . . 73.200000000000003 110.685 175.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.51 ' HZ1' ' HB2' ' B' ' 37' ' ' LYS . 4.8 ttmp? -84.98 -48.78 8.91 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.477 0.711 . . . . 73.530000000000001 110.783 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.73 118.89 13.16 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-O 121.324 0.583 . . . . 63.020000000000003 112.404 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.66 -27.05 68.4 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.025 0.93 . . . . 74.329999999999998 110.988 171.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -54.8 -50.71 67.86 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.904 1.281 . . . . 73.450000000000003 111.901 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.52 ' HB2' HD13 ' B' ' 36' ' ' LEU . 5.8 m-20 -63.27 -30.68 71.78 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.664 0.786 . . . . 62.119999999999997 112.003 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -61.47 -45.52 93.9 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.61 0.364 . . . . 74.409999999999997 110.889 172.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -67.51 -38.35 84.16 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.056 0.542 . . . . 73.329999999999998 111.932 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.82 -47.34 81.2 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.704 0.802 . . . . 71.219999999999999 111.362 177.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . 0.474 ' O ' HD12 ' B' ' 49' ' ' LEU . . . -66.39 -43.65 92.16 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-N 116.173 -0.467 . . . . 55.240000000000002 113.143 176.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.16 -31.95 73.23 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.068 0.947 . . . . 74.129999999999995 111.62 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.0 -31.38 72.39 Favored Glycine 0 N--CA 1.472 1.052 0 CA-C-N 115.721 -0.672 . . . . 73.010000000000005 112.223 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' TRP . . . . . 0.487 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 26.5 t-105 -72.03 -36.53 69.7 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.209 0.604 . . . . 64.540000000000006 110.499 173.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.529 HD21 HG13 ' B' ' 55' ' ' VAL . 5.5 mp -63.07 -30.4 71.57 Favored 'General case' 0 CA--C 1.57 1.717 0 C-N-CA 123.155 0.582 . . . . 75.219999999999999 111.452 173.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.0 mt -69.89 -36.69 75.65 Favored 'General case' 0 CA--C 1.566 1.566 0 N-CA-C 113.548 0.944 . . . . 74.219999999999999 113.548 175.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.906 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 14.4 ptm180 -70.97 -33.25 70.26 Favored 'General case' 0 N--CA 1.504 2.23 0 CA-C-N 119.09 0.859 . . . . 75.019999999999996 111.803 177.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -79.99 -18.94 48.98 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 115.612 -0.722 . . . . 75.019999999999996 110.665 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 34.6 t70 69.82 18.53 7.36 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.214 1.406 . . . . 71.420000000000002 111.122 175.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -79.93 -8.73 59.49 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 115.632 -0.713 . . . . 73.349999999999994 112.125 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.529 HG13 HD21 ' B' ' 49' ' ' LEU . 22.3 m -132.46 163.65 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-O 121.934 0.873 . . . . 73.049999999999997 112.303 177.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.54 HG11 HG22 ' B' ' 69' ' ' VAL . 19.9 m -129.92 142.05 44.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 114.116 -1.402 . . . . 74.040000000000006 108.995 168.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 47.1 p -101.4 139.62 36.81 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.14 0.576 . . . . 74.319999999999993 110.777 -177.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 68.8 m -147.83 171.41 15.76 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.172 0.989 . . . . 75.549999999999997 110.656 -176.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -123.13 121.7 36.64 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.742 0.817 . . . . 65.230000000000004 109.565 176.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 35.5 t -119.96 113.35 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.894 0.878 . . . . 74.530000000000001 110.04 174.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 51.3 44.98 28.57 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 125.421 1.488 . . . . 72.439999999999998 113.837 172.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.35 3.5 88.61 Favored Glycine 0 CA--C 1.539 1.561 0 CA-C-N 115.701 -0.681 . . . . 70.230000000000004 114.519 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -119.18 147.8 43.81 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.115 0.966 . . . . 75.219999999999999 110.887 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 57.8 mt -68.04 124.35 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 123.096 0.558 . . . . 74.439999999999998 109.951 174.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -128.46 114.39 16.74 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.458 0.703 . . . . 73.030000000000001 109.832 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.529 HG22 HD21 ' B' ' 19' ' ' LEU . 32.6 m -115.24 138.68 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 122.992 0.517 . . . . 64.200000000000003 111.096 -177.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.652 ' HZ1' ' HB3' ' B' ' 71' ' ' GLU . 47.7 mtmt -120.9 160.69 22.94 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.372 0.669 . . . . 73.209999999999994 110.967 -174.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.462 HD22 HG12 ' B' ' 55' ' ' VAL . 89.1 mt -86.24 44.47 1.14 Allowed 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 122.878 0.471 . . . . 73.540000000000006 111.754 176.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.54 HG22 HG11 ' B' ' 56' ' ' VAL . 11.5 t 55.9 34.67 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 C-N-CA 124.805 1.242 . . . . 75.519999999999996 110.375 -173.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 93.8 mt -124.75 138.5 54.28 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 115.451 -0.795 . . . . 75.310000000000002 111.518 -175.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.652 ' HB3' ' HZ1' ' B' ' 67' ' ' LYS . 14.2 pt-20 -169.75 162.53 9.64 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.734 1.213 . . . . 74.329999999999998 109.663 175.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 -110.41 30.75 6.49 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 112.709 0.633 . . . . 72.430000000000007 112.709 -175.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -154.7 110.61 3.18 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.267 0.627 . . . . 74.340000000000003 111.515 174.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.82 80.46 0.88 Allowed 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 122.085 0.945 . . . . 75.219999999999999 112.218 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.04 98.34 3.06 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 124.662 1.185 . . . . 74.329999999999998 113.041 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -88.62 -31.33 18.63 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.198 0.599 . . . . 74.230000000000004 110.968 169.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.433 0.635 . . . . 73.0 111.398 173.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 110.326 -0.25 . . . . 71.319999999999993 110.326 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -54.2 113.75 1.37 Allowed 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 124.491 1.116 . . . . 75.030000000000001 113.762 -166.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.439 ' HG2' HD21 ' A' ' 4' ' ' LEU . 52.1 ttm -167.79 162.56 13.84 Favored 'General case' 0 CA--C 1.564 1.513 0 C-N-CA 124.533 1.133 . . . . 70.129999999999995 109.819 -174.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.439 HD21 ' HG2' ' A' ' 3' ' ' MET . 1.5 pt? -61.41 -15.63 38.77 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 112.209 0.448 . . . . 75.530000000000001 112.209 173.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -66.42 -38.04 86.55 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.914 1.286 . . . . 74.109999999999999 110.774 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -70.07 -39.38 75.68 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.426 -0.806 . . . . 74.510000000000005 110.088 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.632 ' HE2' HD11 ' A' ' 11' ' ' LEU . 58.7 tttt -59.91 -42.29 93.55 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 115.008 -0.996 . . . . 75.329999999999998 111.408 172.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.87 -34.81 76.68 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.704 0.802 . . . . 75.420000000000002 111.334 178.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.38 -36.81 69.96 Favored Glycine 0 CA--C 1.54 1.637 0 CA-C-N 115.495 -0.775 . . . . 52.130000000000003 113.005 173.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.99 -43.85 86.57 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.566 0.746 . . . . 50.450000000000003 111.372 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.632 HD11 ' HE2' ' A' ' 7' ' ' LYS . 87.8 mt -68.9 -33.5 73.86 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.952 0.901 . . . . 75.219999999999999 110.714 176.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.432 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -59.25 -43.28 92.43 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.384 0.674 . . . . 64.549999999999997 112.244 175.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' ' 17' ' ' GLU . . . -58.67 -52.5 52.68 Favored Glycine 0 CA--C 1.536 1.395 0 CA-C-N 115.554 -0.748 . . . . 74.430000000000007 113.926 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -69.95 -34.91 74.03 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.291 0.636 . . . . 65.099999999999994 112.306 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.63 HG23 HG22 ' A' ' 30' ' ' ILE . 63.2 mt -67.14 -39.17 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 C-N-CA 123.112 0.565 . . . . 73.519999999999996 110.908 174.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -60.26 -44.3 95.42 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 123.454 0.701 . . . . 73.140000000000001 111.011 172.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 13' ' ' GLY . 37.0 mt-10 -66.41 -29.44 69.59 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.36 0.664 . . . . 71.409999999999997 112.613 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.34 -36.42 82.86 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.868 0.467 . . . . 71.329999999999998 110.937 173.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -87.27 -18.29 30.55 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 123.909 0.884 . . . . 72.310000000000002 112.472 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -64.75 123.42 19.31 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.251 0.621 . . . . 74.040000000000006 111.649 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.3 12.31 69.03 Favored Glycine 0 CA--C 1.541 1.672 0 CA-C-N 116.063 -0.517 . . . . 73.530000000000001 114.023 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.472 HG21 ' H ' ' A' ' 24' ' ' GLY . 10.1 m -118.87 149.22 41.91 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.901 0.88 . . . . 71.329999999999998 110.754 -176.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.38 -23.22 66.29 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.906 0.883 . . . . 75.340000000000003 112.836 176.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.472 ' H ' HG21 ' A' ' 22' ' ' THR . . . 123.71 147.82 7.36 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 113.952 0.341 . . . . 74.25 113.952 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.584 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 2.4 mm? -127.21 164.3 21.99 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.626 0.771 . . . . 64.310000000000002 110.178 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 78.2 p -77.54 168.62 19.69 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 116.22 -0.445 . . . . 73.510000000000005 110.886 171.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -38.91 75.95 Favored 'General case' 0 CA--C 1.564 1.494 0 N-CA-C 113.402 0.89 . . . . 74.540000000000006 113.402 -174.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -65.45 -48.35 72.98 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.586 0.754 . . . . 71.420000000000002 110.986 174.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.584 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 13.2 mm-40 -63.44 -39.3 94.09 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 112.45 0.537 . . . . 73.530000000000001 112.45 -172.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.63 HG22 HG23 ' A' ' 15' ' ' ILE . 56.5 mt -68.38 -46.14 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-O 120.712 0.291 . . . . 73.319999999999993 110.338 175.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -57.39 -35.5 70.08 Favored 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 123.939 0.895 . . . . 73.299999999999997 110.918 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -69.48 -47.3 64.34 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.65 1.18 . . . . 74.25 111.06 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.72 74.48 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.903 0.881 . . . . 75.329999999999998 112.176 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.6 p -89.59 -2.55 58.36 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.771 0.829 . . . . 73.239999999999995 112.338 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt 70.2 23.7 5.09 Favored 'General case' 0 N--CA 1.501 2.099 0 C-N-CA 124.525 1.13 . . . . 62.530000000000001 112.125 175.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.9 mt -85.72 132.11 34.2 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.692 0.797 . . . . 75.530000000000001 109.924 175.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -89.73 -42.31 11.39 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.422 0.689 . . . . 74.340000000000003 111.161 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.05 141.62 28.32 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.82 0.848 . . . . 70.239999999999995 111.408 -176.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -61.13 -31.74 71.45 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.246 1.418 . . . . 64.439999999999998 111.998 176.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -57.09 -42.57 80.99 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.792 1.237 . . . . 75.120000000000005 112.785 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.97 -34.08 76.97 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.395 0.678 . . . . 72.319999999999993 111.388 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -64.9 -40.77 95.6 Favored 'General case' 0 CA--C 1.556 1.204 0 CA-C-N 116.027 -0.533 . . . . 73.430000000000007 111.046 174.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -64.03 -40.92 97.39 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 122.994 0.518 . . . . 74.519999999999996 112.333 178.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.25 -47.44 86.05 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.378 0.671 . . . . 73.430000000000007 111.644 176.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.595 ' HA3' HD13 ' A' ' 15' ' ' ILE . . . -66.4 -51.82 40.11 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 116.131 -0.486 . . . . 72.239999999999995 113.554 178.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.91 -36.76 82.28 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.781 0.833 . . . . 70.409999999999997 111.995 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.99 -31.29 78.07 Favored Glycine 0 N--CA 1.475 1.273 0 CA-C-N 116.015 -0.539 . . . . 71.510000000000005 112.818 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.477 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 11.2 t-105 -77.45 -29.65 52.92 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 123.222 0.609 . . . . 73.510000000000005 111.133 176.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.613 HD23 HG12 ' A' ' 55' ' ' VAL . 5.8 mp -64.95 -31.56 72.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.776 -0.577 . . . . 65.439999999999998 111.001 172.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.8 mt -72.14 -35.46 69.08 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.973 0.909 . . . . 75.439999999999998 112.874 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.567 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 12.2 ptm180 -61.02 -27.07 68.06 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 113.713 1.005 . . . . 62.109999999999999 113.713 -178.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.567 ' HG3' ' HG3' ' A' ' 51' ' ' ARG . 42.8 mt-10 -109.47 -9.27 14.93 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.266 0.626 . . . . 74.439999999999998 111.806 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 61.77 35.44 16.73 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.922 0.889 . . . . 72.540000000000006 111.544 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -77.84 -6.62 54.8 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 115.23 -0.895 . . . . 75.430000000000007 111.259 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.613 HG12 HD23 ' A' ' 49' ' ' LEU . 31.0 m -132.66 161.9 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.092 0.957 . . . . 72.400000000000006 111.093 177.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.666 HG11 HG23 ' A' ' 69' ' ' VAL . 15.8 m -116.93 127.9 74.45 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.033 0 C-N-CA 124.071 0.948 . . . . 75.349999999999994 110.654 170.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.0 p -106.05 133.88 50.06 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.53 1.132 . . . . 64.349999999999994 110.106 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.6 t -123.56 148.44 46.34 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.462 1.105 . . . . 75.219999999999999 110.075 -178.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -97.23 101.29 12.82 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.595 -0.891 . . . . 73.129999999999995 108.595 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.3 t -122.13 111.18 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.51 0.724 . . . . 63.229999999999997 110.209 -174.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 58.16 35.44 25.06 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 124.897 1.279 . . . . 75.439999999999998 112.116 176.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.52 -13.57 57.8 Favored Glycine 0 CA--C 1.543 1.814 0 CA-C-N 115.885 -0.598 . . . . 73.0 114.193 -177.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -98.67 155.35 17.37 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.768 0.827 . . . . 63.520000000000003 111.921 -171.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.1 mt -85.24 111.1 20.24 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.178 0 C-N-CA 123.435 0.694 . . . . 74.349999999999994 110.41 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -106.35 133.51 50.93 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.091 0.956 . . . . 71.439999999999998 108.623 171.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.1 p -139.51 149.42 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 CA-C-O 121.26 0.552 . . . . 74.349999999999994 112.476 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.454 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 20.7 pttp -154.73 169.82 23.04 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.182 0.993 . . . . 75.219999999999999 109.707 177.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.525 HD22 HG11 ' A' ' 55' ' ' VAL . 48.4 mt -68.05 160.46 28.79 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 118.504 0.593 . . . . 75.439999999999998 111.51 173.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.666 HG23 HG11 ' A' ' 56' ' ' VAL . 15.8 t -79.17 76.85 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 CA-C-O 121.582 0.706 . . . . 75.310000000000002 109.188 175.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.1 mt -108.87 29.39 7.51 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.268 1.027 . . . . 64.430000000000007 110.641 -177.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.32 93.53 0.1 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.805 1.242 . . . . 75.230000000000004 111.727 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -66.96 -42.62 84.88 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 109.339 -0.615 . . . . 75.239999999999995 109.339 173.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -59.21 119.3 7.1 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 115.499 -0.773 . . . . 74.310000000000002 108.984 163.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -65.99 -54.6 24.04 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.021 0.748 . . . . 73.439999999999998 113.021 -166.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -158.21 166.21 32.97 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 112.267 0.469 . . . . 74.450000000000003 112.267 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -147.72 125.18 11.66 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.601 0.761 . . . . 74.519999999999996 109.345 174.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 122.182 0.992 . . . . 72.420000000000002 111.517 179.019 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.92 0 N-CA-C 112.031 0.382 . . . . 74.340000000000003 112.031 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -91.08 32.34 1.02 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.638 0.775 . . . . 72.209999999999994 111.451 -177.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.628 ' HB3' ' HB2' ' B' ' 6' ' ' GLU . 12.0 tpt -76.39 151.43 36.58 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.819 1.248 . . . . 75.230000000000004 110.781 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.39 -28.74 67.37 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.234 0.614 . . . . 61.310000000000002 111.076 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.67 -45.11 76.16 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.532 0.733 . . . . 63.439999999999998 110.212 169.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.628 ' HB2' ' HB3' ' B' ' 3' ' ' MET . 2.9 tp10 -70.27 -39.08 75.15 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.434 0.694 . . . . 73.129999999999995 112.388 -169.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -32.59 73.74 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.844 0.457 . . . . 73.040000000000006 111.616 178.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.24 -36.8 85.28 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.537 0.735 . . . . 74.299999999999997 111.154 175.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.63 -38.53 57.23 Favored Glycine 0 C--N 1.35 1.339 0 CA-C-N 115.967 -0.56 . . . . 54.43 113.717 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.9 97.52 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.624 0.77 . . . . 74.409999999999997 111.274 176.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.52 HD21 HD21 ' B' ' 36' ' ' LEU . 81.2 mt -71.75 -37.92 70.48 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.396 -0.82 . . . . 73.25 111.473 175.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.52 -40.28 86.61 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.335 0.654 . . . . 73.510000000000005 112.656 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.47 -53.57 44.89 Favored Glycine 0 CA--C 1.534 1.281 0 O-C-N 123.779 0.675 . . . . 53.020000000000003 113.305 177.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -70.14 -33.94 72.43 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.076 0.55 . . . . 71.230000000000004 112.404 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.482 HG21 HG22 ' B' ' 30' ' ' ILE . 79.4 mt -64.56 -44.33 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 122.982 0.513 . . . . 75.519999999999996 110.512 175.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -63.73 -41.96 97.98 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.233 0.613 . . . . 72.530000000000001 111.451 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.03 -34.93 78.62 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 123.372 0.669 . . . . 70.030000000000001 111.782 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.65 81.62 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.304 0.642 . . . . 70.430000000000007 111.26 173.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.414 HD22 HD11 ' B' ' 25' ' ' LEU . 75.8 mt -78.35 -29.59 47.61 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.082 0.953 . . . . 74.340000000000003 112.003 177.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -67.89 124.39 23.22 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.681 0.792 . . . . 64.340000000000003 111.359 -173.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.24 -37.4 3.4 Favored Glycine 0 CA--C 1.538 1.505 0 CA-C-N 116.013 -0.539 . . . . 61.240000000000002 112.668 -172.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.9 m -78.97 158.69 27.93 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.098 0.959 . . . . 73.040000000000006 110.848 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.27 10.13 9.21 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.452 0.701 . . . . 74.25 112.267 176.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.65 146.49 10.86 Favored Glycine 0 C--N 1.346 1.109 0 C-N-CA 123.048 0.356 . . . . 63.299999999999997 112.32 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.621 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 5.2 mp -124.95 159.78 30.43 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.191 0.596 . . . . 74.400000000000006 110.385 -177.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 69.3 p -82.55 170.73 14.87 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 116.358 -0.383 . . . . 74.329999999999998 110.448 171.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -55.08 -34.04 63.28 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 123.809 0.843 . . . . 74.420000000000002 112.123 174.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -63.65 -53.49 50.6 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 124.509 1.123 . . . . 74.420000000000002 112.051 174.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . 0.621 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 69.7 mt-30 -69.29 -40.4 77.75 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.966 0.906 . . . . 75.340000000000003 112.891 -170.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.482 HG22 HG21 ' B' ' 15' ' ' ILE . 71.3 mt -60.91 -39.05 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 122.817 0.447 . . . . 74.439999999999998 111.278 178.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -64.05 -25.42 68.1 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 113.216 0.821 . . . . 72.439999999999998 113.216 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -66.95 -55.93 12.43 Favored 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 109.173 -0.677 . . . . 75.340000000000003 109.173 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.51 86.41 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.529 0.732 . . . . 73.420000000000002 112.304 -173.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 80.5 p -81.64 -21.93 37.91 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.868 0.867 . . . . 75.030000000000001 112.021 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 68.56 35.59 3.16 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 124.735 1.214 . . . . 74.200000000000003 111.404 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.52 HD21 HD21 ' B' ' 11' ' ' LEU . 68.8 mt -81.59 124.72 29.77 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.25 0.62 . . . . 73.219999999999999 110.93 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -82.76 -49.94 9.21 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.944 0.897 . . . . 74.340000000000003 110.859 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.58 131.37 37.75 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.404 0.681 . . . . 74.540000000000006 111.528 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -64.83 -26.44 68.34 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.679 0.791 . . . . 75.120000000000005 111.402 169.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -59.29 -34.97 72.93 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.393 1.077 . . . . 74.329999999999998 112.784 177.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -71.91 -45.81 59.91 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.224 0.61 . . . . 70.140000000000001 110.532 171.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -57.6 -39.04 75.95 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 114.86 -1.064 . . . . 72.409999999999997 112.964 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -64.45 -37.63 88.2 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 123.089 0.556 . . . . 74.010000000000005 112.256 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.37 -40.12 67.52 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.42 0.688 . . . . 62.530000000000001 111.337 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . 0.428 ' O ' HD11 ' B' ' 49' ' ' LEU . . . -66.56 -46.29 77.92 Favored Glycine 0 N--CA 1.478 1.45 0 CA-C-N 116.455 -0.339 . . . . 64.409999999999997 113.004 176.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.641 HD12 HG11 ' B' ' 66' ' ' VAL . 36.3 tp -70.53 -30.71 67.53 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 124.004 0.922 . . . . 75.030000000000001 111.315 178.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.72 -30.59 70.55 Favored Glycine 0 N--CA 1.476 1.311 0 CA-C-N 115.319 -0.855 . . . . 73.530000000000001 112.31 176.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' TRP . . . . . 0.544 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 8.7 t-105 -64.7 -40.9 96.16 Favored 'General case' 0 CA--C 1.562 1.421 0 C-N-CA 123.137 0.575 . . . . 73.549999999999997 110.089 171.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.456 HD23 HG12 ' B' ' 55' ' ' VAL . 6.5 mp -56.98 -28.88 62.75 Favored 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 123.35 0.66 . . . . 60.329999999999998 112.66 177.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.07 -42.32 84.9 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.192 0.597 . . . . 73.209999999999994 111.993 172.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' B' ' 48' ' ' TRP . 12.5 ptp180 -66.23 -28.3 68.62 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 121.302 0.572 . . . . 74.329999999999998 110.275 176.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -78.85 -20.22 50.1 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.433 -0.803 . . . . 75.310000000000002 111.579 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 p30 51.75 25.32 2.85 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 126.043 1.737 . . . . 73.349999999999994 112.917 -172.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -87.47 -0.36 56.7 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.645 0.778 . . . . 73.150000000000006 111.915 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.456 HG12 HD23 ' B' ' 49' ' ' LEU . 35.3 m -132.63 163.17 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-O 121.651 0.738 . . . . 72.409999999999997 112.805 176.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 6.7 p -129.72 133.09 65.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 C-N-CA 125.143 1.377 . . . . 74.109999999999999 108.328 167.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' THR . . . . . 0.445 HG23 HG13 ' B' ' 66' ' ' VAL . 34.1 p -102.48 154.93 18.62 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 121.238 0.542 . . . . 75.219999999999999 111.09 -172.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 79.9 p -163.46 171.96 15.18 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.633 1.173 . . . . 72.209999999999994 109.47 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -113.17 108.64 17.57 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.97 -0.752 . . . . 74.430000000000007 108.97 172.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 41.1 t -108.66 120.53 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.832 0.853 . . . . 64.409999999999997 109.936 175.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 58.07 29.67 18.14 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.838 1.655 . . . . 73.219999999999999 112.982 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.77 -3.24 65.06 Favored Glycine 0 CA--C 1.541 1.692 0 N-CA-C 114.982 0.753 . . . . 70.530000000000001 114.982 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -117.45 163.27 16.64 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 118.108 0.954 . . . . 74.409999999999997 112.02 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 70.7 mt -72.81 122.05 24.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 CA-C-N 115.278 -0.874 . . . . 73.049999999999997 109.529 174.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -128.26 128.04 43.93 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.267 1.027 . . . . 64.019999999999996 109.47 -176.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.641 HG11 HD12 ' B' ' 46' ' ' LEU . 29.2 m -123.44 147.51 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.33 0.652 . . . . 72.319999999999993 111.314 -176.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -129.15 151.11 50.18 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.524 1.13 . . . . 73.099999999999994 108.756 -177.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 58.2 mt -76.92 73.53 3.53 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-N 119.462 1.028 . . . . 74.120000000000005 111.638 175.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 15.7 t 51.15 30.17 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 C-N-CA 124.889 1.276 . . . . 61.200000000000003 111.661 -178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 85.1 mt -73.14 132.39 43.21 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.689 -0.687 . . . . 71.450000000000003 110.38 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -70.55 94.11 0.96 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.341 0.656 . . . . 70.430000000000007 110.693 -175.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -154.84 158.51 39.51 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 122.996 0.518 . . . . 72.140000000000001 110.723 -176.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 74.0 t60 78.96 2.79 2.44 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 125.925 1.69 . . . . 73.140000000000001 112.83 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -82.77 153.53 25.2 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.893 -0.505 . . . . 75.319999999999993 109.775 172.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 70.64 -64.88 0.35 Allowed 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 125.325 1.45 . . . . 70.319999999999993 111.628 -173.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -76.09 97.09 3.98 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.128 0.571 . . . . 74.209999999999994 110.587 177.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 . . . . . 0 N--CA 1.479 0.98 0 C-N-CA 124.318 1.047 . . . . 73.109999999999999 110.674 177.163 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 ttm . . . . . 0 N--CA 1.483 1.205 0 N-CA-C 110.531 -0.174 . . . . 72.540000000000006 110.531 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm 61.21 26.26 16.15 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 124.633 1.173 . . . . 74.329999999999998 113.923 171.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.7 mmt -74.78 143.52 43.98 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.951 0.501 . . . . 75.409999999999997 111.991 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mp -62.04 -16.56 52.8 Favored 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 123.965 0.906 . . . . 74.540000000000006 111.837 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -59.27 -48.63 80.89 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.309 1.044 . . . . 72.340000000000003 111.373 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -65.99 -33.04 74.89 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 115.017 -0.992 . . . . 73.0 110.454 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.635 ' HZ2' HD13 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -68.92 -44.73 72.5 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.664 0.786 . . . . 75.209999999999994 111.358 -179.755 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.89 -34.72 71.98 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.729 0.812 . . . . 74.530000000000001 112.353 177.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.92 -39.73 96.72 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-N 115.951 -0.568 . . . . 64.540000000000006 113.766 174.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.08 -33.41 75.97 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.375 0.67 . . . . 65.439999999999998 111.768 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.635 HD13 ' HZ2' ' A' ' 7' ' ' LYS . 86.6 mt -67.44 -42.02 83.81 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.763 0.825 . . . . 61.049999999999997 111.315 176.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.73 -41.98 82.95 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.939 0.896 . . . . 74.040000000000006 112.811 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.52 -37.89 84.63 Favored Glycine 0 CA--C 1.536 1.397 0 CA-C-N 115.753 -0.658 . . . . 64.129999999999995 113.648 177.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -73.1 -46.26 52.36 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.319 0.648 . . . . 65.400000000000006 111.502 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.597 HG22 HG22 ' A' ' 30' ' ' ILE . 68.2 mt -66.68 -41.87 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 123.689 0.796 . . . . 75.329999999999998 111.91 -176.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -60.99 -43.36 98.95 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.069 0.548 . . . . 74.310000000000002 110.777 173.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.07 -30.97 69.41 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.56 0.744 . . . . 75.519999999999996 111.47 -177.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.0 -30.97 68.42 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.505 0.722 . . . . 73.230000000000004 111.271 173.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.5 mt -81.31 -20.15 41.38 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.759 0.824 . . . . 74.129999999999995 111.844 172.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -79.56 120.24 23.64 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.425 0.69 . . . . 72.010000000000005 109.24 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.68 -8.76 37.34 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 122.874 0.273 . . . . 74.420000000000002 112.777 -169.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.7 p -129.18 168.72 15.74 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.496 1.118 . . . . 75.340000000000003 109.789 175.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.432 ' HA ' HD13 ' A' ' 70' ' ' LEU . 13.1 pt-20 -91.07 -4.05 56.64 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 111.876 0.324 . . . . 71.510000000000005 111.876 178.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.35 131.63 2.54 Favored Glycine 0 C--N 1.35 1.344 0 CA-C-N 116.637 -0.256 . . . . 71.120000000000005 113.067 -175.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.418 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 98.1 mt -125.4 159.32 32.14 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.894 0.877 . . . . 72.140000000000001 110.941 -178.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.2 p -82.82 167.13 18.39 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 109.475 -0.565 . . . . 73.150000000000006 109.475 173.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 20.3 pt20 -51.34 -42.74 61.48 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 123.393 0.677 . . . . 71.040000000000006 112.435 -177.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -57.68 -49.62 75.91 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.465 1.106 . . . . 72.25 113.058 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 47.8 mt-30 -67.19 -33.0 74.45 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.689 0.795 . . . . 74.439999999999998 111.864 -174.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.597 HG22 HG22 ' A' ' 15' ' ' ILE . 57.3 mt -73.31 -45.43 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.41 0.684 . . . . 61.530000000000001 111.132 177.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 27' ' ' GLN . 51.5 mtpt -59.55 -34.03 72.15 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.416 0.687 . . . . 65.239999999999995 111.781 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -69.91 -48.11 59.85 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 123.45 0.7 . . . . 74.319999999999993 110.342 175.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.0 -34.18 77.83 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.533 0.733 . . . . 70.230000000000004 112.621 -177.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.8 p -87.95 -17.2 31.83 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.876 0.871 . . . . 73.25 111.467 176.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm 65.94 31.38 9.26 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 125.369 1.468 . . . . 73.409999999999997 112.575 -178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 pp -101.93 137.29 40.41 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-O 121.196 0.522 . . . . 75.420000000000002 110.389 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.65 -12.81 30.62 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.568 0.747 . . . . 75.230000000000004 112.315 -179.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -98.23 114.08 26.22 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.437 0.695 . . . . 75.340000000000003 112.4 -170.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -59.58 -27.41 66.24 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.116 0.566 . . . . 70.299999999999997 110.555 168.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HZ2' ' HB3' ' A' ' 40' ' ' LYS . 2.0 mmmp? -50.49 -57.9 7.0 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.46 1.504 . . . . 72.409999999999997 112.662 175.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -76.94 -21.53 54.67 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.972 0.509 . . . . 63.009999999999998 111.48 -177.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -63.11 -40.45 97.66 Favored 'General case' 0 CA--C 1.557 1.221 0 CA-C-N 115.768 -0.651 . . . . 74.109999999999999 110.9 170.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -65.34 -39.78 92.82 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 123.064 0.546 . . . . 74.099999999999994 112.201 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.78 -46.15 89.35 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.414 0.686 . . . . 65.219999999999999 111.303 178.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.592 ' HA3' HD13 ' A' ' 15' ' ' ILE . . . -68.97 -50.72 32.91 Favored Glycine 0 CA--C 1.537 1.421 0 CA-C-N 116.062 -0.517 . . . . 62.420000000000002 113.311 177.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.4 tp -56.7 -38.16 71.9 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.304 1.042 . . . . 74.329999999999998 112.141 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.9 -31.61 72.87 Favored Glycine 0 N--CA 1.476 1.309 0 CA-C-N 115.21 -0.904 . . . . 72.340000000000003 112.336 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.506 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 8.6 t-105 -74.15 -31.79 62.86 Favored 'General case' 0 CA--C 1.564 1.51 0 C-N-CA 123.928 0.891 . . . . 62.109999999999999 110.699 175.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 45' ' ' GLY . 6.4 mp -66.4 -36.36 82.63 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.596 -0.69 . . . . 74.129999999999995 110.705 172.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.487 HD23 HG22 ' A' ' 57' ' ' THR . 96.2 mt -71.68 -34.13 69.42 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.943 0.897 . . . . 73.329999999999998 112.627 175.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.634 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 7.9 ptt180 -60.9 -37.35 81.94 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 112.09 0.404 . . . . 73.530000000000001 112.09 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.634 ' HG3' ' HG3' ' A' ' 51' ' ' ARG . 44.3 mt-10 -100.36 -6.6 25.52 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.82 0.848 . . . . 65.329999999999998 112.031 -178.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 63.49 36.21 11.41 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 124.258 1.023 . . . . 71.530000000000001 112.359 174.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.509 ' HE3' ' HB2' ' A' ' 52' ' ' GLU . 14.9 ptpt -85.21 -5.87 59.3 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.222 0.609 . . . . 74.510000000000005 111.021 175.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.533 HG11 HD21 ' A' ' 68' ' ' LEU . 26.4 m -136.77 168.6 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 C-N-CA 124.465 1.106 . . . . 74.549999999999997 110.494 174.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.7 m -135.35 139.55 46.56 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 124.766 1.227 . . . . 73.510000000000005 109.598 168.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.487 HG22 HD23 ' A' ' 50' ' ' LEU . 39.9 p -106.78 148.1 28.87 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.624 0.769 . . . . 75.0 111.497 -173.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.2 m -137.82 154.31 49.54 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.833 1.253 . . . . 75.109999999999999 109.801 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -110.18 108.3 18.39 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.425 0.69 . . . . 73.519999999999996 109.368 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.4 t -121.43 109.34 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 123.473 0.709 . . . . 75.129999999999995 110.357 -173.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 51.59 32.54 9.23 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.249 1.42 . . . . 74.349999999999994 113.97 173.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.98 -21.45 45.83 Favored Glycine 0 CA--C 1.538 1.52 0 N-CA-C 114.639 0.615 . . . . 72.540000000000006 114.639 -178.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -80.05 136.35 36.55 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 117.834 0.817 . . . . 74.299999999999997 111.661 176.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 66.5 mt -75.1 100.79 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 N-CA-C 109.084 -0.71 . . . . 75.129999999999995 109.084 167.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -92.13 140.37 29.7 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.345 0.658 . . . . 74.420000000000002 109.959 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.0 p -140.46 147.31 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 C-N-CA 123.226 0.61 . . . . 65.310000000000002 110.726 172.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.7 147.31 35.45 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.098 0.559 . . . . 62.409999999999997 110.696 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.533 HD21 HG11 ' A' ' 55' ' ' VAL . 69.8 mt -64.11 147.3 52.55 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 110.347 -0.242 . . . . 71.430000000000007 110.347 174.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 78.5 t -70.4 87.2 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-O 121.54 0.686 . . . . 75.120000000000005 109.93 174.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 23' ' ' GLU . 67.6 mt -83.02 -8.23 59.58 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 115.4 -0.818 . . . . 64.230000000000004 111.507 177.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -59.71 122.19 13.53 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.527 0.731 . . . . 75.430000000000007 109.967 169.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -82.97 -27.4 30.49 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.503 0.721 . . . . 75.439999999999998 110.685 -177.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 67.1 t60 53.41 78.41 0.15 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.185 1.394 . . . . 74.519999999999996 112.373 175.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -86.01 149.47 25.15 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.491 -0.777 . . . . 73.109999999999999 109.962 176.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -83.16 -50.39 8.5 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 109.781 -0.451 . . . . 75.010000000000005 109.781 170.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -169.52 131.04 1.11 Allowed 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.025 0.93 . . . . 73.140000000000001 109.856 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 . . . . . 0 N--CA 1.487 1.375 0 C-N-CA 123.359 0.664 . . . . 64.319999999999993 111.004 176.358 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.422 ' SD ' ' N ' ' B' ' 1' ' ' MET . 1.5 mpt? . . . . . 0 CA--C 1.554 1.128 0 N-CA-C 111.445 0.165 . . . . 71.540000000000006 111.445 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -81.08 111.41 17.52 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.727 0.811 . . . . 73.209999999999994 110.685 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 84.8 mtp -121.89 139.73 53.28 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.603 0.761 . . . . 75.140000000000001 111.485 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.68 -16.93 64.57 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.536 0.734 . . . . 72.420000000000002 112.381 175.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -60.92 -35.36 76.51 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.069 0.948 . . . . 71.510000000000005 112.305 172.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -63.16 -36.75 84.67 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.669 0.787 . . . . 72.519999999999996 112.41 -170.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -31.68 68.56 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 112.338 0.495 . . . . 74.340000000000003 112.338 178.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.76 84.94 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 122.85 0.46 . . . . 75.439999999999998 110.583 176.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.29 -34.46 57.78 Favored Glycine 0 CA--C 1.539 1.588 0 CA-C-N 115.37 -0.832 . . . . 73.510000000000005 113.518 174.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.47 -52.1 36.16 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.189 0.596 . . . . 65.109999999999999 111.206 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -57.63 -37.47 73.36 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.3 1.04 . . . . 75.239999999999995 111.383 174.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' B' ' 48' ' ' TRP . . . -56.88 -45.71 82.33 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.587 0.555 . . . . 64.230000000000004 112.035 175.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.01 -48.69 85.01 Favored Glycine 0 C--N 1.347 1.171 0 O-C-N 123.884 0.74 . . . . 74.450000000000003 113.211 175.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -59.85 -48.87 79.96 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 123.748 0.819 . . . . 75.230000000000004 111.777 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.568 HG21 HG22 ' B' ' 30' ' ' ILE . 97.9 mt -62.93 -44.75 99.82 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 124.061 0.945 . . . . 65.510000000000005 111.603 177.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -63.69 -39.5 94.46 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.478 0.711 . . . . 63.009999999999998 111.753 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -69.05 -26.42 64.96 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.654 0.782 . . . . 61.119999999999997 112.077 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.74 -29.89 65.01 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.029 0.532 . . . . 65.450000000000003 111.242 170.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.528 HD22 ' HA2' ' B' ' 24' ' ' GLY . 87.3 mt -86.69 -21.16 26.83 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.773 0.829 . . . . 72.219999999999999 111.811 176.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.443 ' HA ' HD11 ' B' ' 68' ' ' LEU . 29.5 t-20 -70.05 120.54 15.9 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.74 0.816 . . . . 65.109999999999999 110.909 -179.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.97 -33.62 5.62 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 115.801 -0.636 . . . . 54.210000000000001 113.04 -175.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 31.9 p -89.12 173.63 8.33 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.423 0.689 . . . . 74.450000000000003 111.702 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -89.65 8.57 30.81 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.832 0.853 . . . . 75.010000000000005 111.889 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.528 ' HA2' HD22 ' B' ' 19' ' ' LEU . . . 91.9 141.42 10.01 Favored Glycine 0 C--N 1.353 1.473 0 C-N-CA 122.835 0.255 . . . . 72.510000000000005 113.451 -176.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.84 176.54 5.35 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.913 0.885 . . . . 75.329999999999998 110.649 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 75.8 p -87.1 166.37 15.05 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 122.72 0.408 . . . . 73.099999999999994 110.326 172.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . 0.408 ' HG2' ' CD2' ' B' ' 42' ' ' PHE . 0.3 OUTLIER -51.9 -51.2 58.52 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.36 1.064 . . . . 73.400000000000006 111.474 -174.188 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -61.69 -32.42 72.61 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 113.116 0.784 . . . . 71.230000000000004 113.116 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -74.83 -40.95 60.77 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.156 0.582 . . . . 73.150000000000006 111.707 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.568 HG22 HG21 ' B' ' 15' ' ' ILE . 57.4 mt -71.79 -47.13 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 123.183 0.593 . . . . 71.310000000000002 111.492 -177.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -61.88 -29.39 70.16 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.518 0.327 . . . . 75.200000000000003 111.707 178.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -70.79 -49.88 41.77 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.126 0.57 . . . . 65.099999999999994 109.666 174.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.7 91.05 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.83 0.852 . . . . 73.420000000000002 112.379 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.474 ' OG1' ' HG ' ' B' ' 36' ' ' LEU . 72.2 p -86.44 -8.07 57.92 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.164 0.986 . . . . 72.120000000000005 111.874 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.6 ' HB3' ' HZ3' ' B' ' 35' ' ' LYS . 8.1 mtpm? 62.68 37.89 12.42 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 125.059 1.343 . . . . 74.409999999999997 112.435 177.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.474 ' HG ' ' OG1' ' B' ' 34' ' ' THR . 88.8 mt -64.49 127.59 32.15 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.482 0.713 . . . . 74.430000000000007 110.436 173.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 pptp? -67.29 -22.99 65.62 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.354 0.662 . . . . 73.510000000000005 112.596 -172.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.93 172.74 12.33 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.119 0.967 . . . . 73.109999999999999 110.878 174.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -69.81 -28.79 66.02 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.788 0.835 . . . . 65.239999999999995 110.224 170.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -63.75 -29.83 71.0 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.488 1.115 . . . . 75.209999999999994 112.952 -175.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -60.0 -41.23 91.66 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.517 0.727 . . . . 55.219999999999999 110.623 174.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.452 ' HA ' HD11 ' B' ' 15' ' ' ILE . 65.7 t80 -64.76 -43.73 92.34 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 114.849 -1.069 . . . . 71.439999999999998 111.763 -178.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -66.44 -33.44 75.7 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 122.96 0.504 . . . . 74.409999999999997 112.306 -173.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.66 -43.34 66.24 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.284 0.634 . . . . 75.409999999999997 111.309 175.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . 0.408 ' O ' HD12 ' B' ' 49' ' ' LEU . . . -66.46 -42.33 93.8 Favored Glycine 0 CA--C 1.537 1.464 0 CA-C-N 116.369 -0.378 . . . . 74.349999999999994 113.192 176.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.6 tp -64.45 -33.42 75.84 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.27 1.028 . . . . 74.120000000000005 111.27 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.28 -34.02 87.88 Favored Glycine 0 N--CA 1.472 1.058 0 CA-C-N 115.726 -0.67 . . . . 73.129999999999995 112.365 176.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' TRP . . . . . 0.466 ' HB3' ' HB1' ' B' ' 12' ' ' ALA . 21.0 t-105 -77.0 -34.68 57.49 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 123.034 0.533 . . . . 75.200000000000003 110.861 175.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.436 ' HB3' ' CG2' ' B' ' 55' ' ' VAL . 8.0 mp -56.42 -40.64 75.06 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.473 0.709 . . . . 74.040000000000006 111.779 172.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -67.6 -42.41 82.47 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.783 0.833 . . . . 72.430000000000007 112.466 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -18.8 60.89 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 112.181 0.437 . . . . 72.25 112.181 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.556 ' HB2' ' HD2' ' B' ' 54' ' ' LYS . 12.0 mm-40 -91.86 -15.53 28.02 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.673 0.389 . . . . 65.420000000000002 111.642 174.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 56.26 29.55 15.11 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.202 1.001 . . . . 64.349999999999994 111.581 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.556 ' HD2' ' HB2' ' B' ' 52' ' ' GLU . 1.8 ptmm? -86.4 -7.64 58.29 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 114.638 -1.165 . . . . 74.310000000000002 110.863 -177.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.436 ' CG2' ' HB3' ' B' ' 49' ' ' LEU . 34.8 m -138.35 178.92 3.7 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.224 0 C-N-CA 124.69 1.196 . . . . 71.209999999999994 111.419 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 p -141.96 140.14 30.22 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 124.38 1.072 . . . . 72.019999999999996 110.498 169.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 46.2 p -110.19 134.39 52.27 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.204 1.002 . . . . 62.530000000000001 112.12 -173.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 38.3 t -135.44 170.55 15.76 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.426 1.491 . . . . 74.349999999999994 109.81 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -112.37 107.54 16.39 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.761 0.424 . . . . 64.450000000000003 110.584 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 39.6 t -113.68 117.57 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 124.02 0.928 . . . . 74.150000000000006 110.62 178.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 58.87 37.96 24.66 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 124.928 1.291 . . . . 71.299999999999997 112.94 172.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.1 12.42 84.65 Favored Glycine 0 CA--C 1.537 1.424 0 CA-C-N 115.866 -0.606 . . . . 72.239999999999995 113.834 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -127.2 155.75 42.92 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.745 0.818 . . . . 73.519999999999996 111.107 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 69.2 mt -74.83 111.69 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 C-N-CA 123.418 0.687 . . . . 74.140000000000001 110.168 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -94.65 135.49 36.06 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.71 -0.848 . . . . 74.209999999999994 108.71 169.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 8.8 p -139.36 143.56 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-O 120.834 0.35 . . . . 73.409999999999997 111.015 174.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -146.15 162.55 37.74 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.506 0.722 . . . . 64.120000000000005 110.466 -177.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.443 HD11 ' HA ' ' B' ' 20' ' ' ASN . 17.6 mt -70.56 154.19 42.12 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 120.451 0.167 . . . . 74.439999999999998 110.828 175.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 52.7 t -69.27 114.36 6.2 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.252 0 C-N-CA 122.644 0.378 . . . . 71.239999999999995 110.141 176.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 6.0 mp -68.71 -17.52 64.08 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 123.757 0.823 . . . . 75.010000000000005 112.259 -173.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -60.85 117.33 5.28 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.497 0.719 . . . . 64.209999999999994 110.244 173.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -72.45 110.83 7.13 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.589 0.756 . . . . 72.239999999999995 111.714 -173.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -103.79 155.44 18.6 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.977 0.911 . . . . 75.349999999999994 111.401 -176.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -98.0 121.3 39.75 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.132 0.973 . . . . 74.140000000000001 109.644 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -111.57 167.35 10.39 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.611 0.764 . . . . 72.25 111.844 -175.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -62.38 97.08 0.09 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.854 0.861 . . . . 70.310000000000002 109.625 173.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 . . . . . 0 N--CA 1.479 1.011 0 C-N-CA 123.937 0.895 . . . . 74.239999999999995 111.105 -168.126 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.547 ' HB2' ' HB2' ' A' ' 6' ' ' GLU . 24.6 ptt? . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 120.214 0.054 . . . . 75.040000000000006 110.884 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -95.91 -40.45 9.29 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 122.652 0.381 . . . . 73.530000000000001 111.107 173.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.3 mmm -114.92 154.4 28.79 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 123.605 0.762 . . . . 74.109999999999999 111.168 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.6 mt -64.26 -21.83 66.73 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 113.143 0.794 . . . . 72.239999999999995 113.143 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -64.76 -34.01 77.32 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.699 0.4 . . . . 71.0 112.069 174.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.547 ' HB2' ' HB2' ' A' ' 1' ' ' MET . 35.7 mm-40 -62.11 -38.88 90.55 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.289 0.636 . . . . 73.340000000000003 112.435 -170.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.527 ' HZ3' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -66.24 -32.3 73.64 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.717 0.407 . . . . 71.25 111.786 178.616 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.0 -35.0 78.98 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.267 0.627 . . . . 71.150000000000006 111.07 175.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.09 -32.35 63.23 Favored Glycine 0 C--N 1.351 1.392 0 CA-C-N 115.461 -0.791 . . . . 60.25 113.289 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.4 -49.53 68.91 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.332 0.653 . . . . 60.219999999999999 111.08 174.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.468 HD23 HD23 ' A' ' 36' ' ' LEU . 64.9 mt -67.0 -27.01 67.08 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.332 0.653 . . . . 74.420000000000002 111.525 178.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.411 ' HB3' ' HB3' ' A' ' 48' ' ' TRP . . . -59.71 -45.25 92.73 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.261 0.625 . . . . 75.450000000000003 111.59 172.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.07 -32.37 82.07 Favored Glycine 0 CA--C 1.537 1.414 0 CA-C-N 115.618 -0.719 . . . . 51.340000000000003 113.394 175.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -69.43 -48.96 59.32 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.375 0.67 . . . . 74.019999999999996 111.583 177.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.437 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 64.8 mt -69.55 -46.38 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 123.48 0.712 . . . . 73.109999999999999 111.507 -176.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -57.27 -43.04 82.71 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.823 0.849 . . . . 74.129999999999995 110.816 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -59.45 -43.49 93.14 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.532 1.133 . . . . 75.209999999999994 111.015 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.17 -29.1 68.7 Favored 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 123.484 0.714 . . . . 65.109999999999999 112.569 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 61.8 mt -83.79 -25.18 30.67 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.255 0.622 . . . . 72.200000000000003 111.518 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -70.27 136.77 50.18 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.749 0.82 . . . . 72.150000000000006 111.61 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.35 9.9 73.73 Favored Glycine 0 N--CA 1.48 1.573 0 CA-C-N 116.195 -0.457 . . . . 54.399999999999999 113.85 -175.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 m -134.44 169.57 17.05 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.859 1.264 . . . . 74.549999999999997 108.322 -177.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -88.22 29.13 0.98 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.767 0.427 . . . . 70.349999999999994 110.68 168.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.414 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 79.86 -175.87 54.85 Favored Glycine 0 C--N 1.344 1.001 0 CA-C-O 121.408 0.449 . . . . 74.340000000000003 113.81 -177.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.58 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 95.7 mt -145.39 164.14 32.41 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.217 1.007 . . . . 74.329999999999998 109.444 -174.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.7 p -78.2 164.86 24.57 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 109.447 -0.575 . . . . 71.109999999999999 109.447 169.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 18.0 pt20 -54.33 -39.48 67.08 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.711 0.404 . . . . 74.310000000000002 110.558 178.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -57.55 -52.16 66.54 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.126 1.37 . . . . 70.5 112.003 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.58 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 17.6 mm-40 -65.72 -34.8 79.04 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.582 0.753 . . . . 71.420000000000002 111.437 -177.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.422 HD12 HD22 ' A' ' 19' ' ' LEU . 97.5 mt -70.56 -41.6 78.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 123.435 0.694 . . . . 73.540000000000006 111.263 177.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 12.2 mmmm -58.77 -39.34 80.73 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.288 0.635 . . . . 72.109999999999999 111.361 177.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -68.7 -41.7 78.75 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.263 -0.88 . . . . 74.299999999999997 111.821 176.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.57 -45.93 70.75 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.524 0.729 . . . . 53.020000000000003 112.357 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.5 p -90.96 -14.88 30.7 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.342 1.057 . . . . 72.430000000000007 112.476 -172.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 66.15 42.0 3.32 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 124.537 1.135 . . . . 72.329999999999998 111.874 174.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.468 HD23 HD23 ' A' ' 11' ' ' LEU . 97.0 mt -83.14 138.0 33.84 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.562 0.345 . . . . 73.329999999999998 111.605 -177.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -66.51 -36.11 81.92 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.973 0.909 . . . . 75.040000000000006 112.533 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.18 152.6 47.53 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.266 0.626 . . . . 70.310000000000002 111.576 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -59.96 -25.58 65.32 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.982 0.913 . . . . 72.450000000000003 111.35 171.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -53.11 -43.74 67.11 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.807 1.243 . . . . 74.5 112.176 172.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -67.97 -34.61 76.88 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.45 0.7 . . . . 71.420000000000002 110.819 178.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -63.81 -36.61 84.48 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 115.413 -0.812 . . . . 73.120000000000005 111.256 173.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -71.28 -34.5 70.72 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 122.566 0.347 . . . . 63.329999999999998 111.744 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -71.07 -42.49 69.33 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.247 0.619 . . . . 74.209999999999994 111.047 175.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.19 -53.91 23.48 Favored Glycine 0 CA--C 1.537 1.445 0 CA-C-N 116.417 -0.356 . . . . 71.010000000000005 112.969 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.1 tp -62.03 -30.39 70.94 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.267 1.027 . . . . 74.349999999999994 111.644 176.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.34 -30.92 75.44 Favored Glycine 0 N--CA 1.475 1.237 0 CA-C-N 116.007 -0.542 . . . . 71.450000000000003 112.712 174.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.474 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 2.3 t-105 -76.91 -36.06 56.93 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 123.154 0.582 . . . . 74.439999999999998 110.694 174.038 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.486 HD23 HG13 ' A' ' 55' ' ' VAL . 7.5 mp -63.46 -31.77 73.02 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.069 0.547 . . . . 74.329999999999998 111.391 173.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 tt -76.5 -42.92 41.7 Favored 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 123.376 0.671 . . . . 75.140000000000001 109.722 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.642 ' HB2' ' HB3' ' B' ' 51' ' ' ARG . 9.1 ptp180 -60.64 -33.06 72.24 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 113.817 1.043 . . . . 75.549999999999997 113.817 -172.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -102.39 0.87 34.63 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.103 0.561 . . . . 73.329999999999998 112.066 178.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.7 t70 62.54 44.3 7.08 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 122.436 1.113 . . . . 72.439999999999998 110.503 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -76.61 -32.62 58.17 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 114.586 -1.188 . . . . 71.409999999999997 110.703 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.486 HG13 HD23 ' A' ' 49' ' ' LEU . 29.8 m -132.5 173.44 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.41 0.684 . . . . 74.239999999999995 112.302 -173.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -122.2 138.57 51.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 C-N-CA 124.827 1.251 . . . . 63.109999999999999 109.548 170.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.454 ' HA ' HG13 ' A' ' 66' ' ' VAL . 46.8 p -101.72 136.27 41.84 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.751 0.821 . . . . 54.009999999999998 111.819 -175.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.1 t -146.66 172.23 13.92 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.787 1.235 . . . . 70.349999999999994 109.685 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.88 121.64 33.77 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 121.668 0.747 . . . . 63.229999999999997 111.046 173.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.9 t -105.22 111.04 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.506 0.722 . . . . 75.450000000000003 109.795 172.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 58.89 41.79 20.7 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.627 1.171 . . . . 75.049999999999997 112.869 172.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.68 7.24 88.77 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 115.463 -0.789 . . . . 73.430000000000007 114.629 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -119.46 151.2 38.95 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.454 0.701 . . . . 75.430000000000007 110.744 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 74.4 mt -69.8 129.57 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 122.845 0.458 . . . . 75.340000000000003 110.278 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -132.0 122.03 24.86 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.4 1.08 . . . . 72.040000000000006 109.143 177.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.454 HG13 ' HA ' ' A' ' 57' ' ' THR . 28.9 m -128.67 151.26 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.045 0.538 . . . . 71.530000000000001 111.356 -179.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.414 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 62.5 pttt -155.32 162.02 40.94 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 122.929 0.492 . . . . 75.319999999999993 110.923 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.478 HD23 HG12 ' A' ' 55' ' ' VAL . 35.4 mt -63.25 145.73 54.91 Favored 'General case' 0 CA--C 1.557 1.215 0 CA-C-O 120.897 0.38 . . . . 72.099999999999994 111.663 -179.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.539 HG13 ' HG ' ' A' ' 70' ' ' LEU . 85.7 t -58.34 143.18 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 123.898 0.879 . . . . 73.450000000000003 111.592 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.539 ' HG ' HG13 ' A' ' 69' ' ' VAL . 75.4 mt 78.69 -29.19 0.15 Allowed 'General case' 0 N--CA 1.504 2.247 0 C-N-CA 125.537 1.535 . . . . 74.409999999999997 113.54 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -63.91 103.93 0.64 Allowed 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 113.252 0.834 . . . . 75.120000000000005 113.252 -176.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 49.26 60.41 3.78 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 125.805 1.642 . . . . 74.340000000000003 111.355 -173.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -93.4 110.41 21.97 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.481 -0.781 . . . . 72.329999999999998 111.068 -173.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -131.82 -90.65 0.42 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.216 0.606 . . . . 63.039999999999999 110.589 171.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -171.58 141.84 1.53 Allowed 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.737 0.815 . . . . 71.420000000000002 110.694 -176.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -88.24 -25.02 23.08 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.476 0.71 . . . . 74.450000000000003 110.996 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 . . . . . 0 N--CA 1.486 1.371 0 C-N-CA 124.532 1.133 . . . . 71.099999999999994 110.432 173.757 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.6 ttm . . . . . 0 CA--C 1.549 0.908 0 CA-C-O 120.987 0.422 . . . . 74.140000000000001 110.785 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -159.58 171.01 20.4 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.396 1.078 . . . . 71.140000000000001 111.166 176.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.465 ' HG3' ' HB3' ' B' ' 5' ' ' LYS . 20.6 ptm -153.94 179.2 9.12 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.277 0.631 . . . . 74.219999999999999 111.993 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.41 -17.17 64.16 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 123.703 0.801 . . . . 73.349999999999994 111.945 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.465 ' HB3' ' HG3' ' B' ' 3' ' ' MET . 88.4 tttt -66.89 -30.7 70.93 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.991 0.916 . . . . 75.109999999999999 111.732 172.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -62.25 -51.88 65.97 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.443 0.697 . . . . 73.439999999999998 111.621 -177.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.404 ' HZ1' ' HB2' ' B' ' 7' ' ' LYS . 0.0 OUTLIER -63.48 -31.26 72.37 Favored 'General case' 0 CA--C 1.555 1.148 0 O-C-N 123.225 0.328 . . . . 63.439999999999998 111.866 179.862 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.27 -50.71 66.85 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 120.905 0.383 . . . . 71.219999999999999 111.909 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.26 -35.57 52.53 Favored Glycine 0 CA--C 1.539 1.551 0 N-CA-C 114.772 0.669 . . . . 72.120000000000005 114.772 -176.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.07 -50.03 57.66 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.149 0.58 . . . . 73.420000000000002 112.414 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.562 HD21 HD21 ' B' ' 36' ' ' LEU . 82.4 mt -62.41 -24.81 67.6 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 123.175 0.59 . . . . 74.430000000000007 111.919 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.96 -36.92 68.35 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.009 0.924 . . . . 74.040000000000006 112.414 174.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.32 -49.02 83.17 Favored Glycine 0 CA--C 1.538 1.482 0 CA-C-N 116.08 -0.509 . . . . 73.439999999999998 113.524 175.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -64.62 -43.72 92.84 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.724 0.81 . . . . 74.25 111.72 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.472 HD13 ' HA3' ' B' ' 45' ' ' GLY . 77.7 mt -63.79 -39.73 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 123.629 0.772 . . . . 73.120000000000005 111.243 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -58.38 -49.36 77.53 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.0 0.52 . . . . 74.099999999999994 110.95 174.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.6 -33.97 74.83 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.799 0.84 . . . . 73.540000000000006 112.261 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.74 81.54 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.193 0.597 . . . . 64.040000000000006 111.59 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.598 HD22 ' HA ' ' B' ' 67' ' ' LYS . 7.5 mp -96.59 -10.75 26.49 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.539 0.736 . . . . 63.100000000000001 112.311 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -60.64 122.49 14.86 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.244 0.617 . . . . 73.200000000000003 111.644 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.01 22.07 77.07 Favored Glycine 0 CA--C 1.539 1.586 0 CA-C-N 116.521 -0.309 . . . . 62.409999999999997 113.512 -177.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.603 HG22 ' H ' ' B' ' 24' ' ' GLY . 27.3 m -121.01 147.08 45.99 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.761 0.824 . . . . 73.450000000000003 111.258 -176.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.68 -17.42 64.07 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 125.04 1.336 . . . . 72.439999999999998 113.114 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.603 ' H ' HG22 ' B' ' 22' ' ' THR . . . 129.12 149.69 6.92 Favored Glycine 0 C--N 1.348 1.24 0 C-N-CA 123.161 0.41 . . . . 71.329999999999998 113.02 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 90.3 mt -136.52 159.22 42.44 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.681 0.792 . . . . 75.25 110.774 -177.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 69.8 p -97.88 169.11 9.88 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.602 0.761 . . . . 73.439999999999998 110.515 170.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -55.81 -33.63 64.61 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 113.373 0.879 . . . . 74.030000000000001 113.373 -173.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.09 -48.32 82.24 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.833 0.853 . . . . 74.430000000000007 112.024 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -70.13 -37.57 75.31 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 115.518 -0.764 . . . . 75.230000000000004 111.561 -177.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.45 HG21 HG21 ' B' ' 15' ' ' ILE . 51.1 mt -73.5 -46.58 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 123.167 0.587 . . . . 74.430000000000007 111.663 -177.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -61.74 -34.53 75.99 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 122.636 0.374 . . . . 75.310000000000002 111.11 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -70.53 -40.62 73.36 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.318 0.647 . . . . 74.409999999999997 110.765 176.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.92 -35.55 78.63 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.589 0.756 . . . . 73.140000000000001 112.324 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 72.0 p -93.13 -9.39 39.62 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.125 0.97 . . . . 74.340000000000003 112.364 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 64.1 mttm 71.18 19.86 5.31 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 125.31 1.444 . . . . 75.319999999999993 111.969 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.562 HD21 HD21 ' B' ' 11' ' ' LEU . 89.4 mt -76.87 110.2 11.29 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.475 0.71 . . . . 74.409999999999997 110.012 175.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -67.72 -46.39 72.33 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.887 0.875 . . . . 73.439999999999998 110.752 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.6 132.36 36.38 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.223 0.609 . . . . 71.200000000000003 111.195 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.31 -24.71 64.87 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.077 0.951 . . . . 74.439999999999998 112.237 178.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -63.55 -34.48 77.89 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.799 0.84 . . . . 74.400000000000006 111.867 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.465 ' HB3' HD11 ' B' ' 11' ' ' LEU . 2.0 m-20 -65.69 -37.8 87.47 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.945 0.898 . . . . 73.200000000000003 110.785 173.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -66.15 -46.75 76.33 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 115.44 -0.8 . . . . 75.129999999999995 111.533 174.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -62.38 -36.77 83.33 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 112.464 0.542 . . . . 74.209999999999994 112.464 -175.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.12 -37.17 64.2 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.248 0.619 . . . . 74.209999999999994 111.581 176.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . 0.472 ' HA3' HD13 ' B' ' 15' ' ' ILE . . . -67.3 -54.82 18.28 Favored Glycine 0 CA--C 1.541 1.664 0 O-C-N 123.108 0.255 . . . . 71.530000000000001 112.815 177.247 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.408 HD22 HG11 ' B' ' 66' ' ' VAL . 53.4 tp -57.83 -34.04 69.27 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.47 1.108 . . . . 70.319999999999993 111.743 172.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.57 -31.74 80.87 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-N 115.948 -0.569 . . . . 71.349999999999994 112.495 175.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' TRP . . . . . 0.497 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 15.7 t-105 -76.65 -29.98 56.63 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 123.405 0.682 . . . . 74.219999999999999 110.967 174.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.33 -30.86 71.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.84 -0.537 . . . . 73.430000000000007 110.853 170.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.542 ' HB3' HH12 ' A' ' 51' ' ' ARG . 88.2 mt -74.74 -36.16 62.63 Favored 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 123.82 0.848 . . . . 70.230000000000004 112.732 178.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.642 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -70.84 -25.97 63.07 Favored 'General case' 0 N--CA 1.503 2.208 0 CA-C-N 118.292 0.496 . . . . 75.209999999999994 112.015 174.405 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -88.89 -8.54 54.06 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.946 -0.57 . . . . 75.420000000000002 110.869 173.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 p30 51.84 24.6 2.58 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 126.261 1.824 . . . . 74.409999999999997 112.789 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.5 ' HZ1' ' HB3' ' B' ' 54' ' ' LYS . 0.1 OUTLIER -84.38 7.86 18.13 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.799 0.839 . . . . 73.219999999999999 112.17 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.8 m -135.68 163.95 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 C-N-CA 123.563 0.745 . . . . 72.030000000000001 111.357 169.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 14.1 m -122.67 139.91 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.894 0.878 . . . . 75.319999999999993 110.815 170.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 62.1 p -103.01 132.84 48.98 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.76 0.824 . . . . 75.310000000000002 111.292 -178.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 34.1 t -141.97 158.77 43.38 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.159 0.984 . . . . 73.040000000000006 109.053 176.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -110.11 108.39 18.55 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.11 0.481 . . . . 73.519999999999996 110.41 -177.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.462 HG12 ' HG3' ' B' ' 61' ' ' GLU . 93.0 t -107.99 111.65 36.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.81 0.844 . . . . 72.420000000000002 109.036 175.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . 0.462 ' HG3' HG12 ' B' ' 60' ' ' VAL . 26.3 mt-10 61.83 32.26 18.12 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.984 1.313 . . . . 75.0 112.026 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.25 -26.39 10.31 Favored Glycine 0 CA--C 1.539 1.54 0 CA-C-N 116.411 -0.358 . . . . 75.349999999999994 113.952 -174.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -81.42 153.94 26.66 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.643 0.777 . . . . 74.400000000000006 112.972 -177.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 63.0 mt -77.43 114.99 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.761 0.824 . . . . 72.430000000000007 110.178 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -111.89 122.22 47.19 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.093 0.957 . . . . 72.420000000000002 108.995 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.43 HG22 HD21 ' B' ' 19' ' ' LEU . 16.7 m -128.32 154.12 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.256 0.622 . . . . 74.319999999999993 111.492 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.598 ' HA ' HD22 ' B' ' 19' ' ' LEU . 20.9 pttp -154.46 153.21 31.15 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 115.973 -0.558 . . . . 74.299999999999997 110.36 176.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.6 145.69 55.21 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 120.946 0.403 . . . . 75.129999999999995 111.708 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 94.6 t -75.83 87.67 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 N-CA-C 108.919 -0.771 . . . . 75.530000000000001 108.919 171.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 74.7 mt -93.76 42.94 1.1 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.842 0.857 . . . . 74.439999999999998 109.825 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 62.81 -66.62 0.09 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 126.183 1.793 . . . . 72.099999999999994 112.881 -170.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -49.01 112.14 0.58 Allowed 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.589 1.156 . . . . 71.299999999999997 112.921 -176.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -157.73 159.9 37.33 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 121.295 0.569 . . . . 74.129999999999995 111.722 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -109.87 -172.09 1.97 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.076 0.95 . . . . 65.209999999999994 109.399 163.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -69.91 -74.95 0.12 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.315 0.246 . . . . 71.049999999999997 111.082 176.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -168.86 135.17 1.77 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 122.532 0.333 . . . . 74.519999999999996 111.253 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 23.0 p80 . . . . . 0 N--CA 1.492 1.642 0 C-N-CA 123.789 0.836 . . . . 73.329999999999998 110.611 172.387 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 CA--C 1.564 1.481 0 N-CA-C 112.031 0.382 . . . . 74.24 112.031 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -65.96 -44.27 85.47 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.727 0.811 . . . . 64.45 111.727 173.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -61.6 -41.61 97.68 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.483 0.713 . . . . 74.13 110.874 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.411 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 57.2 tttm -55.67 -53.66 53.86 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 114.591 -1.186 . . . . 74.44 111.169 169.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.11 -29.64 67.52 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.405 1.082 . . . . 23.34 112.809 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.86 -36.54 52.44 Favored Glycine 0 CA--C 1.536 1.376 0 CA-C-N 115.845 -0.616 . . . . 73.12 113.519 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.55 -39.09 81.23 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.465 0.706 . . . . 73.2 110.997 174.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.423 HD22 ' HB3' ' A' ' 41' ' ' ASP . 70.8 mt -64.01 -41.16 97.55 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.883 0.873 . . . . 73.41 110.726 174.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.33 -42.08 86.02 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.55 0.74 . . . . 62.42 112.557 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.29 -54.34 38.72 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-N 115.652 -0.704 . . . . 31.23 113.741 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -67.97 -33.77 75.28 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 112.629 0.603 . . . . 63.13 112.629 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.501 HD12 ' HA3' ' A' ' 45' ' ' GLY . 87.5 mt -68.99 -43.18 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 C-N-CA 122.824 0.449 . . . . 74.11 111.003 176.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -59.88 -44.46 94.19 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 122.988 0.515 . . . . 75.14 111.082 174.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.31 -26.7 66.65 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.567 0.747 . . . . 75.52 112.328 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.46 -36.31 68.47 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.165 0.586 . . . . 61.41 111.317 173.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.1 mt -83.11 -15.7 49.75 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.705 0.802 . . . . 75.13 111.835 176.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -79.73 128.32 33.27 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.053 0.941 . . . . 75.21 109.396 173.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.24 -2.7 71.7 Favored Glycine 0 CA--C 1.541 1.7 0 N-CA-C 113.941 0.336 . . . . 50.03 113.941 -177.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.6 t -129.99 165.26 22.51 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.611 0.764 . . . . 72.31 110.734 175.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -93.31 -0.11 56.78 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 112.266 0.469 . . . . 72.23 112.266 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.32 140.18 3.65 Favored Glycine 0 C--N 1.352 1.42 0 N-CA-C 113.924 0.33 . . . . 62.41 113.924 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.0 mt -134.01 154.16 51.32 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.259 1.024 . . . . 71.21 109.928 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.526 ' HB ' ' HB3' ' A' ' 63' ' ' GLU . 38.0 p -92.28 173.24 7.92 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 110.005 -0.368 . . . . 71.4 110.005 171.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -51.03 -41.76 60.04 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 113.279 0.844 . . . . 71.32 113.279 -171.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.7 mttp -65.21 -43.49 91.37 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 112.773 0.657 . . . . 75.04 112.773 177.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.67 -31.95 63.73 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 112.189 0.44 . . . . 72.1 112.189 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.7 mt -67.06 -53.24 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.726 0.41 . . . . 74.34 110.205 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -62.96 -26.43 68.83 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 111.695 0.257 . . . . 74.54 111.695 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -66.79 -52.27 45.91 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.786 0.835 . . . . 75.44 110.452 174.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.72 -26.23 61.51 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 113.084 0.772 . . . . 72.41 113.084 -176.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.4 p -87.57 -17.8 31.17 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.975 0.91 . . . . 73.22 113.171 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HE3' ' HA ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER 72.25 19.34 4.46 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 124.725 1.21 . . . . 63.51 112.175 -172.272 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.505 HD22 ' HB2' ' A' ' 41' ' ' ASP . 73.5 mt -63.31 116.72 5.75 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.572 0.349 . . . . 72.32 110.675 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -68.26 -31.45 70.93 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.139 0.576 . . . . 44.02 110.857 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.51 147.72 47.26 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.754 0.822 . . . . 61.23 112.187 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -59.79 -24.02 63.78 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 125.268 1.427 . . . . 71.3 112.703 171.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -51.42 -44.17 62.21 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 124.611 1.164 . . . . 72.02 111.837 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.505 ' HB2' HD22 ' A' ' 36' ' ' LEU . 4.2 m-20 -74.63 -31.15 61.89 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.589 -1.187 . . . . 70.32 111.447 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -60.34 -43.55 96.35 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.58 0.752 . . . . 75.51 111.368 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -64.79 -42.77 94.8 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.191 0.597 . . . . 62.24 112.504 -176.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 mp -66.75 -47.68 71.49 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 123.156 0.582 . . . . 73.21 111.645 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.514 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -64.81 -45.86 91.36 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.242 -0.435 . . . . 55.14 113.103 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.2 tp -57.84 -41.3 82.02 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.252 1.021 . . . . 75.41 112.006 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.06 -31.23 80.01 Favored Glycine 0 N--CA 1.475 1.294 0 CA-C-N 115.249 -0.887 . . . . 73.5 112.423 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.486 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 22.3 t-105 -75.39 -28.07 59.32 Favored 'General case' 0 CA--C 1.562 1.439 0 C-N-CA 124.257 1.023 . . . . 73.34 111.578 177.131 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 45' ' ' GLY . 5.6 mp -73.24 -34.35 65.82 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.762 -0.586 . . . . 43.23 110.386 172.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.5 mt -67.79 -37.62 82.26 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.89 0.876 . . . . 73.24 111.868 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.625 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 8.5 ptt180 -61.73 -39.45 91.61 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 120.943 0.402 . . . . 64.32 111.756 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.625 ' HG3' ' HG3' ' A' ' 51' ' ' ARG . 53.1 mt-10 -93.36 -3.0 54.15 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.98 0.912 . . . . 73.03 111.966 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 64.39 27.51 13.64 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.102 0.961 . . . . 71.04 112.467 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -75.65 -20.7 58.3 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.344 0.658 . . . . 61.42 111.42 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.56 HG12 HD23 ' A' ' 68' ' ' LEU . 27.5 m -135.58 166.43 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-O 121.49 0.662 . . . . 63.02 111.959 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.3 p -127.41 134.0 66.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 124.438 1.095 . . . . 61.52 108.951 173.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.609 HG22 HG22 ' A' ' 66' ' ' VAL . 40.2 p -118.54 137.46 53.2 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.593 0.757 . . . . 72.43 111.14 -173.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -158.98 164.68 35.35 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.695 0.798 . . . . 75.33 110.082 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -95.57 129.92 42.6 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.359 0.6 . . . . 72.45 111.122 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.3 t -130.01 110.49 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.455 1.102 . . . . 72.32 108.425 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 55.83 31.95 18.65 Favored 'General case' 0 CA--C 1.566 1.582 0 C-N-CA 124.916 1.286 . . . . 74.22 113.556 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.36 -7.33 80.42 Favored Glycine 0 N--CA 1.481 1.667 0 N-CA-C 114.611 0.604 . . . . 42.21 114.611 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.526 ' HB3' ' HB ' ' A' ' 26' ' ' THR . 18.5 mm-40 -91.57 141.77 28.36 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.886 0.874 . . . . 72.51 112.065 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.9 mt -75.63 96.38 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.051 0 N-CA-C 109.513 -0.551 . . . . 71.21 109.513 168.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -86.37 119.41 26.61 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.793 0.837 . . . . 65.34 110.152 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.609 HG22 HG22 ' A' ' 57' ' ' THR . 22.0 t -125.27 144.99 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.637 0.775 . . . . 74.44 110.662 -176.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -158.21 155.16 28.51 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.665 0.386 . . . . 63.32 111.198 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.56 HD23 HG12 ' A' ' 55' ' ' VAL . 67.9 mt -63.37 140.78 58.91 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 122.676 0.39 . . . . 74.55 111.434 177.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.7 t . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 121.345 0.593 . . . . 51.32 111.221 -179.071 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 71.2 mtm . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.159 0.505 . . . . 64.41 111.736 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.403 ' HA ' ' HG3' ' B' ' 7' ' ' LYS . 7.3 mp -71.29 -15.38 62.42 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.25 0.62 . . . . 54.3 111.693 172.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -74.07 -38.03 64.06 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.071 0.462 . . . . 74.32 110.342 167.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -67.08 -40.1 86.94 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.742 -0.663 . . . . 75.03 111.693 -175.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.403 ' HG3' ' HA ' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -72.12 -27.23 62.5 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 111.835 0.309 . . . . 74.32 111.835 175.343 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.06 -45.2 89.85 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.071 0.548 . . . . 62.41 110.766 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.36 -40.25 94.5 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 115.216 -0.902 . . . . 71.21 113.46 174.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.56 85.7 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.483 0.713 . . . . 61.04 112.318 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.48 ' O ' HG12 ' B' ' 15' ' ' ILE . 97.0 mt -65.07 -31.78 73.16 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.232 0.613 . . . . 74.54 112.386 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.424 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -54.2 -30.41 49.61 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 113.086 0.773 . . . . 73.35 113.086 -177.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.99 -53.28 44.08 Favored Glycine 0 CA--C 1.538 1.515 0 CA-C-N 116.003 -0.544 . . . . 51.03 114.023 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -74.44 -32.26 62.56 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 112.603 0.594 . . . . 73.34 112.603 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.48 HG12 ' O ' ' B' ' 11' ' ' LEU . 43.1 mm -63.54 -44.35 98.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 C-N-CA 122.938 0.495 . . . . 74.12 109.771 174.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -60.17 -44.38 95.07 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 115.3 -0.863 . . . . 70.14 111.571 172.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.14 -33.51 73.52 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 112.885 0.698 . . . . 71.03 112.885 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.87 -36.01 82.23 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-O 120.868 0.366 . . . . 74.13 111.215 174.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.535 HD21 HD11 ' B' ' 30' ' ' ILE . 98.1 mt -81.1 -19.78 42.88 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.628 0.771 . . . . 63.22 112.557 176.061 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -67.84 121.82 16.82 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.712 0.805 . . . . 71.44 111.133 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.46 8.3 85.15 Favored Glycine 0 CA--C 1.538 1.489 0 N-CA-C 114.458 0.543 . . . . 70.23 114.458 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 31.7 p -118.54 167.57 11.48 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 117.464 0.632 . . . . 71.05 111.6 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -81.67 12.0 4.27 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.224 1.01 . . . . 72.41 111.399 171.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.2 148.13 18.28 Favored Glycine 0 C--N 1.345 1.061 0 C-N-CA 123.512 0.577 . . . . 52.45 112.277 -171.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.457 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 67.5 mt -128.51 160.55 31.98 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.703 0.801 . . . . 73.11 110.164 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 46.3 p -83.47 169.92 15.0 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.975 -0.557 . . . . 74.2 110.716 172.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -55.78 -41.05 73.49 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.604 0.761 . . . . 74.35 112.71 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -72.66 -36.19 67.9 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.948 0.899 . . . . 72.1 112.598 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLN . . . . . 0.457 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 52.6 mt-30 -66.46 -41.39 89.12 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.722 0.409 . . . . 75.53 111.105 177.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.535 HD11 HD21 ' B' ' 19' ' ' LEU . 70.3 mt -66.93 -49.81 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 123.151 0.58 . . . . 72.24 110.855 174.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -54.74 -39.24 68.08 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 124.46 1.104 . . . . 61.13 112.266 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -66.63 -48.64 68.83 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.078 0.951 . . . . 70.14 110.941 175.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.93 -27.61 66.77 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.591 0.757 . . . . 64.11 112.622 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.471 HG21 HD13 ' B' ' 15' ' ' ILE . 72.9 p -94.55 -13.96 25.51 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.829 0.852 . . . . 73.05 112.732 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 60.1 tttp 70.74 29.45 3.2 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 124.58 1.152 . . . . 62.32 111.535 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 73.0 mt -74.29 124.42 26.41 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 121.453 -0.779 . . . . 72.45 110.654 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -75.03 -49.02 21.18 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.929 0.892 . . . . 73.51 110.798 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.76 136.26 43.79 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.111 0.965 . . . . 63.44 110.546 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -68.34 -23.93 64.75 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.788 0.835 . . . . 73.52 111.925 176.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -52.82 -32.91 46.69 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.199 1.0 . . . . 65.11 112.452 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -73.99 -35.41 64.45 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 124.301 1.04 . . . . 75.03 111.491 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.81 -42.48 75.72 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.948 0.899 . . . . 75.51 112.101 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -62.64 -33.91 75.99 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.389 0.676 . . . . 64.43 112.325 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -73.47 -36.7 65.89 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 123.303 0.641 . . . . 71.34 111.184 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLY . . . . . 0.447 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -69.12 -50.09 36.19 Favored Glycine 0 CA--C 1.538 1.519 0 CA-C-N 116.526 -0.306 . . . . 74.12 112.491 174.061 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.15 -36.32 77.28 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.824 1.249 . . . . 73.33 111.823 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.35 -31.12 79.81 Favored Glycine 0 N--CA 1.473 1.155 0 CA-C-N 115.502 -0.772 . . . . 51.5 112.585 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' TRP . . . . . 0.424 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 10.7 t-105 -75.83 -28.22 58.18 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 123.716 0.807 . . . . 72.33 111.196 176.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.543 HD23 HG11 ' B' ' 55' ' ' VAL . 6.5 mp -70.56 -36.73 73.79 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.229 0.612 . . . . 75.1 110.639 171.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.509 HD21 HG23 ' B' ' 57' ' ' THR . 86.4 mt -71.47 -37.48 71.34 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.843 0.857 . . . . 53.12 112.171 177.076 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.623 ' HG3' ' HG3' ' B' ' 52' ' ' GLU . 5.9 ptt180 -59.76 -36.03 75.81 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 112.142 0.423 . . . . 74.43 112.142 -178.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.623 ' HG3' ' HG3' ' B' ' 51' ' ' ARG . 45.5 mt-10 -101.74 -2.26 30.58 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.747 0.819 . . . . 73.12 111.905 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 34.5 t70 64.18 27.8 14.0 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 124.28 1.032 . . . . 72.23 111.802 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.49 ' HE3' ' HB2' ' B' ' 52' ' ' GLU . 16.2 ptpt -82.34 0.2 42.83 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 121.33 -0.856 . . . . 73.2 111.695 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.543 HG11 HD23 ' B' ' 49' ' ' LEU . 28.9 m -136.12 163.91 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 123.925 0.89 . . . . 71.42 112.672 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.412 HG13 HG23 ' B' ' 69' ' ' VAL . 15.9 m -116.17 136.04 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.918 1.287 . . . . 73.54 110.803 168.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' THR . . . . . 0.509 HG23 HD21 ' B' ' 50' ' ' LEU . 17.0 p -103.82 148.17 26.43 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.545 0.688 . . . . 74.43 112.75 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 67.9 m -149.08 171.31 16.63 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.744 1.617 . . . . 72.03 109.312 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -122.67 123.94 42.28 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 122.057 -0.402 . . . . 73.33 109.931 172.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 64.7 t -110.28 108.09 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.529 0.732 . . . . 62.32 109.332 172.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 57.7 36.03 26.2 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.984 1.313 . . . . 51.31 113.42 172.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.95 7.89 83.19 Favored Glycine 0 N--CA 1.48 1.628 0 N-CA-C 114.584 0.593 . . . . 64.35 114.584 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -117.92 147.33 43.23 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.678 0.791 . . . . 72.0 110.024 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 61.6 mt -71.11 122.35 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 122.638 0.375 . . . . 52.41 110.841 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -114.24 134.33 55.0 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 108.682 -0.859 . . . . 54.31 108.682 170.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.2 149.11 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 122.86 0.464 . . . . 61.14 110.715 176.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -138.23 158.67 43.84 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.073 0.949 . . . . 72.51 108.877 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 78.8 mt -67.0 144.34 56.26 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 119.102 0.864 . . . . 73.31 110.911 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.412 HG23 HG13 ' B' ' 56' ' ' VAL . 6.7 p . . . . . 0 N--CA 1.496 1.849 0 C-N-CA 123.775 0.83 . . . . 75.23 112.961 -174.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 N--CA 1.498 1.952 0 CA-C-O 120.722 0.296 . . . . 55.51 111.276 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -60.35 -50.16 74.72 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.592 1.157 . . . . 62.41 111.842 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -74.22 -50.56 18.61 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.982 0.913 . . . . 73.31 112.123 -170.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -59.18 -32.62 70.08 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.297 0.48 . . . . 64.24 112.297 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.5 -32.87 65.45 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.095 0.558 . . . . 64.14 111.497 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.19 -38.14 47.37 Favored Glycine 0 CA--C 1.536 1.353 0 CA-C-N 115.715 -0.675 . . . . 34.34 113.681 175.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.77 -49.79 60.54 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.167 0.587 . . . . 74.21 111.451 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.0 mt -58.33 -38.9 78.07 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.296 1.038 . . . . 74.14 111.038 174.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.572 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -57.23 -45.99 83.39 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.782 0.66 . . . . 42.01 112.782 177.06 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -52.86 50.62 Favored Glycine 0 C--N 1.345 1.039 0 CA-C-N 115.655 -0.702 . . . . 71.04 113.611 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -68.42 -33.18 73.75 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 112.877 0.695 . . . . 74.14 112.877 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.442 HD12 ' HA3' ' A' ' 45' ' ' GLY . 84.2 mt -66.92 -49.63 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 122.515 0.326 . . . . 63.41 111.03 175.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.422 ' NE1' ' HB3' ' A' ' 54' ' ' LYS . 84.6 t90 -61.36 -44.51 97.04 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.062 0.545 . . . . 75.33 111.709 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -62.0 -32.7 73.2 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.2 0.6 . . . . 75.04 112.186 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.57 -31.35 62.04 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.995 0.518 . . . . 75.33 111.591 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.7 mt -75.2 -25.98 58.63 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.612 0.765 . . . . 64.42 111.864 173.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -74.29 139.07 43.99 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 121.038 0.447 . . . . 72.02 112.038 -173.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.44 -1.06 81.53 Favored Glycine 0 C--N 1.346 1.134 0 CA-C-N 115.725 -0.671 . . . . 55.12 113.055 -175.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 p -126.63 178.85 5.64 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.257 0.623 . . . . 64.43 110.376 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -82.31 2.55 31.61 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 112.574 0.583 . . . . 71.55 112.574 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.442 ' HA3' ' HA ' ' A' ' 67' ' ' LYS . . . 98.68 144.1 16.13 Favored Glycine 0 C--N 1.35 1.306 0 CA-C-O 120.194 -0.225 . . . . 22.12 112.629 -170.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.538 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 3.1 mm? -116.82 163.96 15.38 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 117.582 0.691 . . . . 72.41 112.061 -173.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.3 p -81.39 165.4 21.35 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 115.699 -0.682 . . . . 74.31 110.154 172.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -52.67 -41.01 63.45 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.139 0.576 . . . . 73.03 111.763 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -60.25 -52.18 66.4 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.483 0.713 . . . . 72.13 112.665 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 16.6 mm-40 -66.48 -36.26 82.31 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.166 0.587 . . . . 73.33 112.366 -176.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.4 mt -65.18 -43.03 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.18 0.592 . . . . 72.11 110.45 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -68.47 -26.61 65.58 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.798 0.839 . . . . 61.25 111.316 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -70.33 -54.34 12.95 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.262 0.625 . . . . 73.1 111.103 168.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.23 -35.72 78.01 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.941 0.896 . . . . 62.42 113.392 -174.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.6 p -102.63 -12.46 17.7 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.643 0.777 . . . . 54.4 112.083 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt 50.34 41.22 24.28 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 126.152 1.781 . . . . 73.12 113.857 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.61 137.24 56.6 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 114.89 -1.05 . . . . 74.51 111.654 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -69.28 -60.37 2.39 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.695 0.798 . . . . 71.13 110.406 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.86 148.92 21.8 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.171 -0.922 . . . . 60.02 110.79 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -61.2 -27.31 68.34 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 115.547 -0.751 . . . . 60.31 110.879 164.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -61.33 -29.02 69.63 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.152 0.981 . . . . 64.01 112.468 175.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -64.46 -40.29 95.42 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 120.921 0.391 . . . . 70.23 110.288 173.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -68.3 -36.47 79.4 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.6 -0.727 . . . . 55.23 111.317 176.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -69.19 -38.3 78.57 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 112.678 0.622 . . . . 72.14 112.678 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mp -70.42 -42.4 71.64 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 122.614 0.366 . . . . 62.14 110.909 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.449 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -61.94 -54.51 34.56 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-N 116.308 -0.406 . . . . 73.41 113.342 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 64.0 tp -61.54 -32.43 72.49 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.02 0.928 . . . . 75.12 111.751 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.02 -33.16 86.49 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 121.243 0.357 . . . . 71.11 112.463 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.572 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 21.7 t-105 -77.71 -35.42 52.06 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 122.993 0.517 . . . . 72.24 110.622 173.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.681 HD23 HG11 ' A' ' 55' ' ' VAL . 6.2 mp -56.77 -33.7 66.87 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.898 -0.501 . . . . 63.24 111.635 172.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.451 ' O ' ' HE3' ' B' ' 5' ' ' LYS . 93.2 mt -66.74 -43.39 84.28 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 123.362 0.665 . . . . 45.35 112.029 174.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -73.27 -17.95 61.27 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.788 -0.57 . . . . 75.21 111.386 178.096 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.495 ' HB3' ' HG3' ' A' ' 54' ' ' LYS . 17.3 mm-40 -83.61 -31.87 26.04 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.244 0.618 . . . . 73.04 110.195 174.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.4 t0 62.72 31.66 16.51 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.711 1.204 . . . . 42.42 110.384 -175.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.495 ' HG3' ' HB3' ' A' ' 52' ' ' GLU . 54.2 mtmt -91.77 -4.08 55.4 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 115.159 -0.928 . . . . 64.4 112.1 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.681 HG11 HD23 ' A' ' 49' ' ' LEU . 30.2 m -127.32 150.75 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 112.88 0.696 . . . . 62.11 112.88 -177.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.2 t -107.4 122.03 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 108.324 -0.991 . . . . 64.24 108.324 167.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.405 ' O ' ' SD ' ' B' ' 3' ' ' MET . 27.9 p -103.74 132.07 50.34 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.617 0.599 . . . . 73.35 112.617 -169.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.4 m -135.34 167.63 20.69 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.449 0.699 . . . . 63.45 110.578 176.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -127.7 122.84 33.98 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.277 0.631 . . . . 53.15 109.796 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 67.0 t -115.82 108.51 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.857 0.863 . . . . 51.3 109.657 -177.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 49.7 49.76 19.5 Favored 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 125.115 1.366 . . . . 73.01 113.651 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.85 -22.75 39.22 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 115.031 0.773 . . . . 24.53 115.031 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -107.85 157.12 18.43 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 117.646 0.723 . . . . 72.22 111.852 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.6 mt -82.53 125.36 39.9 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.302 0 C-N-CA 123.368 0.667 . . . . 63.52 110.995 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.43 ' CE2' ' HD2' ' A' ' 67' ' ' LYS . 35.3 t80 -124.67 104.02 8.44 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.093 0.957 . . . . 75.44 109.44 176.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.9 m -108.2 137.68 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-O 121.948 0.88 . . . . 71.05 112.603 -174.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.442 ' HA ' ' HA3' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -113.07 179.3 4.0 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.168 1.387 . . . . 75.1 108.333 -177.726 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.445 HD23 HG12 ' A' ' 55' ' ' VAL . 58.0 mt -108.45 149.1 29.23 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.688 -0.632 . . . . 75.44 112.114 176.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.1 t . . . . . 0 CA--C 1.548 0.87 0 N-CA-C 108.113 -1.069 . . . . 73.14 108.113 162.02 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' MET . . . . . 0.504 ' HG3' ' H ' ' B' ' 5' ' ' LYS . 45.6 tpp . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 111.929 0.344 . . . . 70.23 111.929 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.47 ' HA ' ' HG3' ' B' ' 7' ' ' LYS . 82.3 mt -63.53 -24.08 67.66 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 112.065 0.394 . . . . 65.32 112.065 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.504 ' H ' ' HG3' ' B' ' 3' ' ' MET . 23.1 tptm -62.34 -43.62 98.39 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.475 1.11 . . . . 71.21 111.292 170.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -74.56 -47.06 34.86 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.142 0.577 . . . . 65.2 111.746 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.47 ' HG3' ' HA ' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -64.67 -25.02 67.77 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.109 0.164 . . . . 73.21 111.248 177.614 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.14 -44.49 87.86 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.823 0.449 . . . . 65.21 111.023 170.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.28 -41.5 78.72 Favored Glycine 0 C--N 1.35 1.355 0 CA-C-N 115.885 -0.598 . . . . 61.02 113.691 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.46 94.62 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.368 0.667 . . . . 74.12 112.134 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 65.3 mt -68.74 -38.62 80.28 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.473 -0.785 . . . . 74.52 111.02 175.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.495 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -54.39 -41.15 68.89 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 112.926 0.713 . . . . 71.1 112.926 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.82 -53.76 43.6 Favored Glycine 0 C--N 1.346 1.113 0 O-C-N 123.595 0.559 . . . . 60.31 113.451 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -74.65 -29.8 61.38 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 112.761 0.652 . . . . 74.33 112.761 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.402 HD12 ' HA3' ' B' ' 45' ' ' GLY . 77.9 mt -67.76 -47.65 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 C-N-CA 122.716 0.407 . . . . 61.24 110.739 175.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -62.69 -41.52 99.15 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.887 0.475 . . . . 72.23 110.991 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.05 -27.31 67.28 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 112.892 0.701 . . . . 72.22 112.892 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.97 73.13 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 121.082 0.468 . . . . 51.42 110.744 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.471 HD22 ' HA2' ' B' ' 24' ' ' GLY . 99.8 mt -76.75 -23.46 52.99 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.836 0.854 . . . . 75.12 111.944 174.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -79.43 143.37 35.07 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.263 0.625 . . . . 73.24 110.198 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.29 -13.35 67.5 Favored Glycine 0 CA--C 1.535 1.323 0 CA-C-N 115.866 -0.606 . . . . 73.24 112.22 -166.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 31.1 p -134.65 -177.39 4.59 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 124.067 0.947 . . . . 74.34 110.348 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 67' ' ' LYS . 5.4 mp0 -100.75 25.07 8.28 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.34 0.656 . . . . 62.23 110.862 177.027 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.703 ' HA3' ' HA ' ' B' ' 67' ' ' LYS . . . 98.08 173.77 33.02 Favored Glycine 0 CA--C 1.536 1.347 0 N-CA-C 115.384 0.914 . . . . 63.14 115.384 177.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 88.3 mt -150.41 167.22 27.75 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 124.985 1.314 . . . . 62.42 110.106 -174.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 65' ' ' PHE . 39.0 p -78.59 164.89 24.28 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 109.955 -0.387 . . . . 73.31 109.955 170.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -49.73 -47.46 50.62 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.219 1.008 . . . . 73.23 112.045 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -68.42 -35.74 78.07 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 124.178 0.991 . . . . 70.31 112.121 -178.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLN . . . . . 0.455 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 97.6 mt-30 -73.17 -33.67 65.59 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.091 0.556 . . . . 64.02 112.054 176.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.5 mt -67.6 -43.66 86.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 123.253 0.621 . . . . 74.33 110.414 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -59.81 -27.36 66.52 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.749 0.819 . . . . 73.42 112.211 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -69.95 -43.27 71.9 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 123.786 0.834 . . . . 62.11 111.366 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.59 -41.79 44.93 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.597 0.759 . . . . 71.12 112.434 -177.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 77.4 p -81.62 -17.21 48.98 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.829 0.852 . . . . 63.32 112.718 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm 69.28 20.52 7.41 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.961 1.304 . . . . 73.52 112.106 -176.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 71.3 mt -72.49 110.11 6.64 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.999 0.52 . . . . 72.34 110.541 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -67.14 -48.49 67.89 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.116 0.966 . . . . 71.41 111.338 177.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.2 147.18 28.18 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 121.423 0.63 . . . . 51.42 112.146 -177.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -69.82 -36.22 75.44 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.817 0.847 . . . . 73.54 110.721 171.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -53.66 -44.57 69.77 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 125.696 1.598 . . . . 74.45 113.957 -174.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.21 -31.63 70.36 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.069 -0.514 . . . . 51.24 111.33 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -65.28 -42.32 93.3 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 116.067 -0.515 . . . . 75.15 111.627 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -62.27 -46.01 90.72 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 112.512 0.56 . . . . 74.11 112.512 -175.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mp -68.17 -39.74 82.49 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.921 0.489 . . . . 74.12 111.195 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLY . . . . . 0.465 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -61.63 -48.37 84.83 Favored Glycine 0 CA--C 1.539 1.544 0 CA-C-N 116.568 -0.287 . . . . 42.41 112.893 173.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.06 -34.3 76.0 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.204 1.002 . . . . 70.44 111.689 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.67 -31.87 82.25 Favored Glycine 0 N--CA 1.471 0.976 0 CA-C-N 116.097 -0.501 . . . . 61.24 112.102 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' TRP . . . . . 0.495 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 12.0 t-105 -78.7 -29.98 45.77 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 123.461 0.705 . . . . 74.15 111.337 176.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.607 HD23 HG11 ' B' ' 55' ' ' VAL . 6.6 mp -64.8 -40.81 95.83 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 122.844 0.458 . . . . 71.12 110.867 170.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.3 mt -72.42 -34.15 67.63 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.172 0.989 . . . . 51.33 111.968 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -62.96 -26.7 68.96 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 122.761 0.424 . . . . 75.41 111.781 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.476 ' HB2' ' HE2' ' B' ' 54' ' ' LYS . 52.0 mt-10 -106.97 -4.27 19.24 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.459 0.704 . . . . 73.24 112.216 176.247 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 62.9 35.09 13.72 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.918 0.887 . . . . 71.34 111.67 175.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.476 ' HE2' ' HB2' ' B' ' 52' ' ' GLU . 47.9 mtmt -86.46 -8.66 57.42 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.634 0.774 . . . . 64.55 111.799 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.607 HG11 HD23 ' B' ' 49' ' ' LEU . 33.3 m -133.01 155.44 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 123.202 0.601 . . . . 60.11 112.276 -178.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 47.0 t -111.43 124.95 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.976 0.911 . . . . 54.33 109.24 169.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 26.6 p -103.26 146.33 28.6 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 121.676 0.75 . . . . 74.04 111.86 -176.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 64.1 m -149.17 172.56 14.63 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.002 1.321 . . . . 64.15 109.576 -174.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -116.17 109.25 17.2 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.964 -0.46 . . . . 54.22 110.374 175.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 74.6 t -117.8 123.54 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.834 0.853 . . . . 53.13 110.223 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 61.75 35.66 16.67 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.313 1.045 . . . . 74.41 111.796 174.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.43 -27.26 4.73 Favored Glycine 0 CA--C 1.534 1.272 0 CA-C-N 115.885 -0.598 . . . . 73.21 114.541 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -96.52 174.7 6.71 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.653 0.739 . . . . 74.25 112.251 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 62.4 mt -77.71 138.83 19.65 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.154 0 CA-C-N 115.434 -0.803 . . . . 64.41 111.104 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' PHE . . . . . 0.463 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 86.3 t80 -116.76 135.25 53.91 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.341 1.056 . . . . 75.44 108.873 171.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 48.7 t -131.05 113.01 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 123.321 0.649 . . . . 73.32 109.855 -177.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.703 ' HA ' ' HA3' ' B' ' 24' ' ' GLY . 15.6 pttp -110.73 169.16 8.94 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 109.314 -0.624 . . . . 74.0 109.314 174.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.419 HD23 HG12 ' B' ' 55' ' ' VAL . 48.1 mt -88.06 150.68 23.25 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 118.488 0.586 . . . . 61.54 111.383 176.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 109.125 -0.695 . . . . 72.21 109.125 166.126 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.0 tp . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 112.249 0.463 . . . . 54.05 112.249 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -73.7 -45.3 53.1 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 123.269 0.628 . . . . 72.05 111.515 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.76 -32.07 59.79 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 112.297 0.48 . . . . 72.1 112.297 -174.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -28.32 68.48 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 120.739 0.304 . . . . 74.4 110.75 175.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.74 -40.64 93.15 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.353 0.661 . . . . 62.13 110.739 170.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.84 -35.76 65.81 Favored Glycine 0 CA--C 1.543 1.792 0 CA-C-N 115.908 -0.587 . . . . 72.05 114.118 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.2 -46.09 88.65 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.258 0.623 . . . . 74.23 111.608 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.542 HD13 ' HB3' ' A' ' 41' ' ' ASP . 70.5 mt -72.58 -31.69 65.41 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.644 0.778 . . . . 72.45 111.116 177.044 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.12 -44.88 75.41 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.146 0.979 . . . . 74.4 112.315 176.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.6 -49.0 67.41 Favored Glycine 0 CA--C 1.535 1.334 0 CA-C-N 115.372 -0.831 . . . . 35.53 113.401 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -62.34 -43.93 97.67 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.969 0.908 . . . . 73.11 112.208 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.548 HG23 HG21 ' A' ' 30' ' ' ILE . 86.3 mt -64.36 -42.79 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 123.583 0.753 . . . . 74.2 111.318 178.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -58.73 -44.78 90.54 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 123.802 0.841 . . . . 73.15 110.917 175.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.68 -30.26 69.75 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.88 0.872 . . . . 73.43 112.637 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.0 79.72 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 121.272 0.558 . . . . 64.24 110.751 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.457 HD12 HD13 ' A' ' 25' ' ' LEU . 6.1 mp -81.94 -20.64 38.23 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.213 1.005 . . . . 73.12 111.921 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -67.02 120.71 14.1 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 122.966 0.506 . . . . 75.25 111.448 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.46 16.07 79.95 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 115.946 -0.57 . . . . 64.32 114.282 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.1 p -122.55 169.17 11.28 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.189 0.596 . . . . 72.22 111.238 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -87.73 10.5 18.09 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.398 0.679 . . . . 74.04 112.38 172.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.491 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 104.36 152.56 22.29 Favored Glycine 0 C--N 1.346 1.139 0 N-CA-C 114.662 0.625 . . . . 44.34 114.662 175.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.457 HD13 HD12 ' A' ' 19' ' ' LEU . 5.5 mp -129.08 153.01 48.06 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 124.156 0.982 . . . . 63.44 109.595 -178.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.9 p -87.74 172.91 9.32 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.323 0.649 . . . . 64.22 110.394 174.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -59.58 -34.82 73.19 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 112.332 0.493 . . . . 62.11 112.332 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -62.95 -46.48 87.57 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.665 0.786 . . . . 71.44 112.255 172.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.426 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 52.4 mt-30 -66.26 -47.86 72.35 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.304 0.642 . . . . 74.41 112.421 -177.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.548 HG21 HG23 ' A' ' 15' ' ' ILE . 57.5 mt -69.75 -44.92 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 123.331 0.652 . . . . 72.35 111.841 -176.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -53.18 -42.53 66.32 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.894 0.877 . . . . 73.32 111.544 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -70.15 -45.78 66.08 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 123.857 0.863 . . . . 64.42 111.57 173.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.18 -22.94 63.88 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 113.355 0.872 . . . . 71.31 113.355 -174.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.6 p -107.81 -7.04 16.43 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 124.075 0.95 . . . . 71.14 111.433 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt 66.66 29.19 8.89 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.902 1.281 . . . . 75.25 111.798 176.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.02 119.06 10.72 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.906 0.482 . . . . 64.52 111.588 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -55.4 -37.66 67.89 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.655 1.182 . . . . 72.14 112.224 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -133.49 147.68 51.66 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.757 0.823 . . . . 71.44 110.849 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.5 -24.2 66.43 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 115.17 -0.923 . . . . 70.35 111.645 170.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -60.36 -35.29 75.35 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.903 0.881 . . . . 73.23 112.201 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.542 ' HB3' HD13 ' A' ' 11' ' ' LEU . 25.3 m-20 -66.25 -38.14 87.16 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.714 0.806 . . . . 70.1 110.632 173.235 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -67.87 -42.02 81.93 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 114.971 -1.013 . . . . 75.12 112.693 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -63.47 -39.53 94.71 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 122.886 0.475 . . . . 61.4 112.141 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -71.36 -35.83 71.28 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.392 0.677 . . . . 61.44 111.038 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.49 -59.52 8.71 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 116.194 -0.457 . . . . 62.23 113.428 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -29.31 70.19 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.0 0.52 . . . . 60.1 110.413 177.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.79 -29.98 71.64 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-N 116.046 -0.525 . . . . 75.02 112.517 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.622 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 10.8 t-105 -72.79 -41.58 64.83 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 122.595 0.358 . . . . 74.44 110.548 171.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.696 HD23 HG11 ' A' ' 55' ' ' VAL . 6.1 mp -56.25 -30.1 61.95 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 123.941 0.896 . . . . 55.43 112.435 176.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.0 mt -67.0 -39.52 87.13 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.692 0.797 . . . . 70.22 112.448 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.622 ' HE ' ' HA ' ' A' ' 48' ' ' TRP . 15.3 ptp180 -73.92 -25.92 60.24 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 121.014 0.435 . . . . 73.52 110.793 178.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -78.69 -27.9 45.12 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.415 0.686 . . . . 74.1 110.318 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 56.05 27.71 11.76 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.885 1.274 . . . . 55.11 112.205 -174.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -85.91 -1.25 57.11 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 115.733 -0.667 . . . . 74.52 110.979 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.696 HG11 HD23 ' A' ' 49' ' ' LEU . 28.0 m -128.09 152.69 36.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 123.786 0.835 . . . . 62.51 111.933 176.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 p -114.1 127.43 71.52 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 124.27 1.028 . . . . 74.21 109.669 167.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.613 ' HB ' HD12 ' B' ' 4' ' ' LEU . 52.2 p -105.95 133.25 50.96 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.959 0.904 . . . . 72.34 110.92 -174.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.41 ' HB3' ' HD2' ' A' ' 65' ' ' PHE . 38.6 t -122.33 143.42 49.65 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.963 0.905 . . . . 74.21 110.194 174.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -95.14 104.05 15.92 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 109.342 -0.614 . . . . 75.25 109.342 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.3 t -111.08 108.28 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 123.457 0.703 . . . . 72.43 110.21 -177.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 57.98 38.92 26.88 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.889 1.276 . . . . 72.44 112.863 171.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.35 -1.92 86.2 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 114.782 0.673 . . . . 72.34 114.782 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -114.59 160.34 19.39 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.554 0.742 . . . . 61.11 112.005 -177.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.41 HG23 HD13 ' B' ' 4' ' ' LEU . 63.0 mt -82.82 113.62 22.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 115.185 -0.916 . . . . 62.44 111.561 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.41 ' HD2' ' HB3' ' A' ' 58' ' ' SER . 73.8 t80 -106.27 128.58 54.08 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 107.584 -1.265 . . . . 74.42 107.584 165.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.445 HG13 HD21 ' A' ' 19' ' ' LEU . 7.1 p -139.68 143.23 30.96 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-O 120.866 0.365 . . . . 60.21 111.164 -177.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.491 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 21.4 ptmt -143.05 167.45 22.04 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.652 0.781 . . . . 75.33 109.626 174.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.451 HD23 HG12 ' A' ' 55' ' ' VAL . 24.6 mt -68.6 149.27 49.36 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 118.421 0.555 . . . . 53.41 111.172 173.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.3 t . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 109.42 -0.585 . . . . 63.53 109.42 170.483 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.7 tpt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 112.601 0.593 . . . . 44.13 112.601 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.613 HD12 ' HB ' ' A' ' 57' ' ' THR . 96.7 mt -61.79 -42.73 99.37 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.39 1.076 . . . . 64.02 112.602 177.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -68.87 -39.75 79.67 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.292 -0.413 . . . . 73.22 111.77 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -67.13 -43.03 83.41 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 116.339 -0.392 . . . . 75.34 112.019 -176.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.419 ' HE2' ' HA ' ' B' ' 4' ' ' LEU . 0.1 OUTLIER -63.5 -39.36 94.24 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.306 0.243 . . . . 74.04 110.98 178.564 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.55 -34.72 77.5 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.613 0.765 . . . . 64.24 110.906 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.36 -35.72 59.91 Favored Glycine 0 CA--C 1.539 1.531 0 CA-C-N 115.394 -0.821 . . . . 75.54 113.463 175.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.43 -43.22 86.27 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.783 0.833 . . . . 74.21 111.566 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.2 mt -68.81 -35.69 77.31 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.907 0.883 . . . . 75.53 110.669 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.462 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -55.98 -52.09 65.41 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.41 1.084 . . . . 64.22 112.799 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.78 -40.91 73.54 Favored Glycine 0 CA--C 1.532 1.131 0 O-C-N 123.834 0.709 . . . . 73.21 113.851 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -65.01 -48.33 74.3 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.176 0.591 . . . . 73.55 110.922 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.52 HG23 HG21 ' B' ' 30' ' ' ILE . 66.4 mt -62.89 -42.76 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.904 0.881 . . . . 72.51 111.843 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' TRP . . . . . 0.449 ' HE1' ' HB3' ' B' ' 54' ' ' LYS . 79.7 t90 -66.0 -43.07 88.84 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.357 0.663 . . . . 74.51 111.329 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -61.09 -34.28 74.68 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.195 0.598 . . . . 52.41 112.195 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.01 -37.83 88.87 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.002 0.521 . . . . 63.11 111.373 173.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.639 HD21 HD11 ' B' ' 30' ' ' ILE . 95.5 mt -79.45 -24.99 42.05 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.941 0.896 . . . . 74.32 112.233 179.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -68.66 132.78 47.46 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.58 0.752 . . . . 74.13 111.449 -175.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.15 5.85 87.37 Favored Glycine 0 CA--C 1.542 1.756 0 CA-C-N 116.205 -0.452 . . . . 72.43 113.699 -176.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.2 m -126.9 158.61 36.3 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.788 0.835 . . . . 75.22 110.888 -173.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -72.57 -11.43 60.65 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.928 0.891 . . . . 75.43 112.807 177.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.98 150.14 7.58 Favored Glycine 0 N--CA 1.475 1.243 0 C-N-CA 123.428 0.537 . . . . 70.11 112.87 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.408 HD13 HD23 ' B' ' 19' ' ' LEU . 6.6 mp -126.72 157.98 37.65 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.735 0.814 . . . . 72.45 110.156 -178.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 34.3 p -81.14 172.46 13.64 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 116.298 -0.41 . . . . 70.53 110.466 171.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 53.6 tt0 -57.93 -47.96 81.34 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.054 0.542 . . . . 74.34 110.649 175.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.94 -46.88 78.38 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.447 1.099 . . . . 73.44 111.918 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -63.93 -40.86 97.43 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.239 0.616 . . . . 74.41 111.845 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.639 HD11 HD21 ' B' ' 19' ' ' LEU . 69.6 mt -70.44 -42.49 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.004 0.522 . . . . 71.44 111.7 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.408 ' HE2' ' O ' ' B' ' 36' ' ' LEU . 12.9 mmmm -55.77 -39.93 71.92 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 123.336 0.655 . . . . 74.41 111.197 176.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -49.36 48.55 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-N 115.12 -0.946 . . . . 74.34 110.816 176.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.69 89.75 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 123.826 0.85 . . . . 70.23 112.675 -176.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 50.6 p -90.37 -12.15 38.44 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.682 1.193 . . . . 64.41 112.121 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.05 34.69 4.97 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.205 1.002 . . . . 35.42 112.195 176.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.408 ' O ' ' HE2' ' B' ' 31' ' ' LYS . 92.5 mt -80.61 138.3 36.43 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 109.263 -0.643 . . . . 70.41 109.263 176.085 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -85.51 -52.29 5.94 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.054 0.454 . . . . 62.21 111.215 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -95.17 141.71 28.46 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.515 0.726 . . . . 44.0 111.055 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -58.97 -27.26 65.21 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.78 0.832 . . . . 74.11 111.44 171.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -52.33 -40.91 62.52 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.898 1.279 . . . . 71.35 112.288 172.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -63.48 -37.7 88.3 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.162 0.585 . . . . 74.02 110.944 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -66.72 -46.16 76.39 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.068 -0.969 . . . . 74.21 111.72 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -69.82 -35.97 75.24 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 112.649 0.611 . . . . 71.02 112.649 -175.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp -72.69 -40.4 66.25 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.095 0.558 . . . . 54.14 111.279 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.64 -55.97 15.23 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 116.26 -0.427 . . . . 72.02 112.872 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.571 HD11 HG21 ' B' ' 66' ' ' VAL . 57.6 tp -58.32 -35.92 72.59 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.159 0.984 . . . . 62.23 112.198 176.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.91 -32.1 83.05 Favored Glycine 0 N--CA 1.474 1.23 0 CA-C-N 115.871 -0.604 . . . . 53.22 112.257 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' TRP . . . . . 0.555 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 27.6 t-105 -75.43 -34.25 60.97 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.301 0.641 . . . . 63.5 110.535 173.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.677 HD23 HG11 ' B' ' 55' ' ' VAL . 6.6 mp -61.38 -32.81 72.74 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.9 -0.5 . . . . 53.33 111.43 172.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.56 -39.4 77.43 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.551 0.74 . . . . 72.23 111.723 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' B' ' 48' ' ' TRP . 0.0 OUTLIER -74.44 -24.45 59.07 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-N 117.865 0.302 . . . . 72.34 111.319 177.497 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -80.29 -18.15 50.11 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.47 0.708 . . . . 63.41 110.663 171.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.91 17.27 10.77 Favored 'General case' 0 CA--C 1.56 1.327 0 C-N-CA 125.195 1.398 . . . . 73.42 111.63 176.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.449 ' HB3' ' HE1' ' B' ' 16' ' ' TRP . 9.9 mtmp? -85.65 -5.85 59.22 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.929 0.892 . . . . 73.34 113.135 -175.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.677 HG11 HD23 ' B' ' 49' ' ' LEU . 22.8 m -134.68 163.91 35.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.495 0.664 . . . . 71.1 112.761 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 p -135.27 133.64 52.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 124.786 1.234 . . . . 71.15 109.71 174.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 68.4 p -105.11 133.73 49.4 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.726 0.811 . . . . 43.43 110.521 -173.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 92.5 p -126.97 159.81 32.94 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.878 0.871 . . . . 55.14 110.577 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -98.4 105.0 17.09 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.463 0.705 . . . . 73.43 110.805 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.5 t -114.79 109.69 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.188 0.595 . . . . 72.12 110.713 172.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 58.85 35.69 24.34 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.863 1.265 . . . . 74.41 113.88 168.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.95 10.45 83.97 Favored Glycine 0 CA--C 1.54 1.63 0 N-CA-C 113.841 0.297 . . . . 64.44 113.841 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -125.75 153.52 43.84 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.384 1.074 . . . . 73.43 111.388 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 61.2 mt -78.16 113.84 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 123.11 0.564 . . . . 43.21 110.369 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -111.43 110.6 21.13 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.375 -0.972 . . . . 70.33 108.375 172.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.571 HG21 HD11 ' B' ' 46' ' ' LEU . 7.5 p -116.16 149.21 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 122.931 0.492 . . . . 71.24 110.872 -176.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -146.07 166.53 25.84 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.06 0.944 . . . . 74.32 109.743 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.428 HD23 HG12 ' B' ' 55' ' ' VAL . 45.4 mt -76.17 155.3 34.69 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 122.17 -0.331 . . . . 54.42 111.426 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 26.2 t . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 122.265 1.031 . . . . 74.43 110.548 174.664 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.455 HD23 ' HB2' ' B' ' 59' ' ' GLU . 0.3 OUTLIER . . . . . 0 CA--C 1.566 1.559 0 N-CA-C 113.385 0.883 . . . . 51.41 113.385 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -75.73 -37.94 58.93 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.131 0.572 . . . . 64.23 110.37 176.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -63.42 -42.53 98.72 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.784 0.802 . . . . 74.01 109.961 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -59.15 -47.95 83.42 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 114.22 -1.354 . . . . 72.01 111.753 172.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.03 -34.15 71.58 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.862 0.865 . . . . 73.23 111.777 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.64 -33.99 63.26 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-N 114.985 -1.007 . . . . 44.33 113.217 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.93 -45.42 67.55 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.519 0.727 . . . . 65.45 111.192 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -61.56 -31.08 71.1 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 124.081 0.952 . . . . 70.11 111.455 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -56.04 -45.2 79.26 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.448 0.907 . . . . 63.44 113.448 177.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.18 -52.89 46.49 Favored Glycine 0 CA--C 1.535 1.309 0 O-C-N 123.686 0.616 . . . . 53.12 114.242 -175.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.35 -37.69 83.64 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 123.407 0.683 . . . . 73.41 112.253 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.666 HD12 ' HA3' ' A' ' 45' ' ' GLY . 61.9 mt -65.94 -41.96 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 123.172 0.589 . . . . 75.12 111.308 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -62.28 -46.15 90.06 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.258 0.623 . . . . 75.41 111.109 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.28 -26.79 68.24 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.444 0.698 . . . . 75.31 112.381 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.95 -37.65 81.84 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.218 0.607 . . . . 42.33 110.903 173.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.5 mt -79.55 -24.55 42.06 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.245 1.018 . . . . 63.53 112.413 175.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.407 ' HA ' HD11 ' A' ' 68' ' ' LEU . 25.1 t-20 -71.12 121.13 17.73 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.189 0.596 . . . . 74.01 111.819 -172.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.86 -2.85 44.97 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-N 115.905 -0.589 . . . . 71.22 114.343 -175.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.0 p -125.95 176.17 7.18 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 117.88 0.84 . . . . 74.02 111.518 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -81.33 -1.64 46.11 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.627 0.771 . . . . 73.44 112.043 175.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.32 152.65 8.68 Favored Glycine 0 C--N 1.346 1.086 0 C-N-CA 123.161 0.41 . . . . 64.44 112.51 -173.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.523 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 98.3 mt -129.91 160.92 32.09 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.629 0.772 . . . . 64.05 111.076 -177.086 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.3 p -80.98 164.65 22.39 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.587 0.755 . . . . 73.43 110.805 170.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -60.78 -28.28 68.63 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 122.7 0.4 . . . . 55.3 111.817 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -56.11 -53.79 52.8 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.751 0.821 . . . . 72.52 112.024 168.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.523 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 15.5 mm-40 -72.83 -39.74 66.35 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.718 0.807 . . . . 64.13 112.297 -173.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.5 -52.94 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.436 0.694 . . . . 75.34 110.97 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.524 ' HG3' ' HB2' ' A' ' 36' ' ' LEU . 3.5 ttpm? -61.51 -35.05 76.6 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.651 0.78 . . . . 74.34 111.752 -177.375 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -67.55 -48.84 65.79 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 123.425 0.69 . . . . 75.14 111.608 175.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.35 99.03 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.414 0.686 . . . . 51.33 111.786 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.431 ' OG1' ' HG ' ' A' ' 36' ' ' LEU . 76.9 p -85.2 -9.06 58.25 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.403 1.081 . . . . 71.54 112.614 -177.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt 68.6 23.79 7.12 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.495 1.118 . . . . 73.5 112.007 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.524 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 79.1 mt -69.94 152.14 44.82 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.03 0.532 . . . . 75.15 110.474 178.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -96.39 -29.65 13.83 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.277 0.631 . . . . 74.33 111.429 -167.743 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.15 167.6 21.8 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.885 0.874 . . . . 62.23 111.674 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -61.93 -29.13 70.01 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.701 1.2 . . . . 61.25 111.438 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -43.57 76.97 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.561 1.145 . . . . 75.11 112.505 176.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -64.31 -39.32 93.68 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.602 0.715 . . . . 74.43 110.706 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -63.55 -43.52 96.82 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 114.353 -1.294 . . . . 74.24 112.011 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -64.38 -40.15 95.27 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 112.587 0.588 . . . . 73.32 112.587 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.05 -46.57 88.58 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.538 0.735 . . . . 54.05 111.671 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.666 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -69.88 -47.6 46.29 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-N 116.198 -0.455 . . . . 42.13 113.367 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.22 -36.79 78.49 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.856 0.862 . . . . 70.41 112.1 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.98 -30.9 74.6 Favored Glycine 0 N--CA 1.476 1.302 0 CA-C-N 115.576 -0.738 . . . . 64.43 112.542 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.584 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 8.7 t-105 -77.7 -35.43 52.12 Favored 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 123.435 0.694 . . . . 74.4 111.555 177.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.532 HD23 HG11 ' A' ' 55' ' ' VAL . 6.6 mp -61.91 -37.19 83.7 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.188 0.595 . . . . 63.4 111.036 173.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.9 mt -64.89 -49.33 70.91 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.844 0.858 . . . . 71.34 112.291 175.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.584 ' HG2' ' HA ' ' A' ' 48' ' ' TRP . 15.4 ptm180 -63.99 -34.78 78.76 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 113.221 0.822 . . . . 54.25 113.221 -174.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.66 6.79 47.13 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 112.162 0.43 . . . . 73.23 112.162 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.45 31.08 15.19 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.856 0.862 . . . . 70.31 111.664 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -88.67 -14.84 36.4 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.973 0.909 . . . . 65.53 111.899 -173.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.532 HG11 HD23 ' A' ' 49' ' ' LEU . 27.5 m -132.52 174.52 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 112.723 0.638 . . . . 75.34 112.723 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.3 p -131.36 128.95 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.852 0.861 . . . . 64.52 109.091 160.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.9 p -102.59 148.08 25.99 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.601 0.715 . . . . 73.14 111.534 -174.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.6 t -146.84 171.34 15.34 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.531 -1.213 . . . . 74.52 108.953 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.34 122.1 34.45 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.947 0.499 . . . . 65.22 109.926 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.5 t -115.04 111.45 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.516 1.126 . . . . 54.44 110.777 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 50.92 43.49 28.64 Favored 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 125.638 1.575 . . . . 60.54 114.892 169.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.4 -7.63 61.91 Favored Glycine 0 N--CA 1.479 1.563 0 N-CA-C 114.971 0.748 . . . . 71.2 114.971 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -127.24 162.74 25.5 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 117.715 0.758 . . . . 71.44 111.547 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.2 mt -82.9 131.27 34.13 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 C-N-CA 123.532 0.733 . . . . 71.4 111.335 -176.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -119.71 111.29 17.84 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.507 1.123 . . . . 73.52 108.583 174.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.1 t -103.74 138.08 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.072 0.549 . . . . 72.42 110.669 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -121.43 168.78 11.3 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.153 0.981 . . . . 71.54 109.24 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 20' ' ' ASN . 45.8 mt -88.9 -177.87 5.59 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 118.183 0.447 . . . . 55.35 110.377 167.496 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.0 t . . . . . 0 N--CA 1.503 2.178 0 CA-C-O 121.948 0.88 . . . . 72.34 111.567 -178.913 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 113.045 0.758 . . . . 63.54 113.045 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.74 -22.84 67.11 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 115.193 -0.912 . . . . 74.44 110.855 171.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -71.57 -44.68 64.07 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.526 0.73 . . . . 70.44 111.471 171.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -65.83 -42.9 89.99 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.149 0.58 . . . . 71.4 111.656 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -27.17 62.34 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 122.269 0.227 . . . . 71.15 111.465 175.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.9 -50.51 68.47 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 123.128 0.571 . . . . 62.0 111.342 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.38 -32.22 78.88 Favored Glycine 0 CA--C 1.535 1.328 0 CA-C-N 115.635 -0.712 . . . . 72.41 113.725 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.18 -49.2 72.96 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.262 0.625 . . . . 71.23 111.015 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.492 ' O ' HG12 ' B' ' 15' ' ' ILE . 94.2 mt -63.13 -34.57 77.91 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.576 0.75 . . . . 74.43 111.451 176.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.411 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -54.19 -31.44 52.9 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.393 0.677 . . . . 44.32 112.628 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.09 -53.68 42.92 Favored Glycine 0 CA--C 1.54 1.635 0 CA-C-N 116.034 -0.53 . . . . 43.01 113.48 172.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -74.59 -31.12 61.95 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 112.604 0.594 . . . . 65.4 112.604 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.492 HG12 ' O ' ' B' ' 11' ' ' LEU . 41.9 mm -65.6 -43.69 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 C-N-CA 123.244 0.618 . . . . 72.13 109.887 175.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -62.92 -45.12 93.98 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 115.514 -0.767 . . . . 72.01 110.978 173.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -63.69 -29.08 70.35 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.212 0.605 . . . . 43.22 112.541 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.53 -41.18 93.39 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 122.914 0.486 . . . . 63.23 110.667 172.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.608 HD21 HG23 ' B' ' 66' ' ' VAL . 92.3 mt -79.68 -15.37 57.69 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.637 0.775 . . . . 71.44 112.561 175.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ASN . . . . . 0.444 ' HA ' HD11 ' B' ' 68' ' ' LEU . 50.4 t30 -71.02 123.95 23.26 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.972 0.509 . . . . 74.4 110.346 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.03 -2.1 75.12 Favored Glycine 0 CA--C 1.538 1.493 0 CA-C-N 115.963 -0.562 . . . . 51.4 113.596 -174.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 18.5 p -121.11 162.72 19.57 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 117.515 0.657 . . . . 65.04 110.629 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -105.15 10.86 33.69 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.004 0.522 . . . . 75.54 111.164 175.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.506 ' HA2' ' HB3' ' B' ' 67' ' ' LYS . . . 156.47 128.43 1.08 Allowed Glycine 0 C--N 1.352 1.441 0 N-CA-C 114.295 0.478 . . . . 62.44 114.295 178.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 95.8 mt -132.72 161.41 34.08 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.424 1.09 . . . . 72.53 109.611 170.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 23.1 p -84.57 171.05 12.79 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 120.744 0.307 . . . . 71.41 110.255 166.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -56.79 -36.6 70.07 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.185 0.594 . . . . 74.31 112.131 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' B' ' 32' ' ' LYS . 88.1 mttt -67.56 -45.67 74.95 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.49 1.116 . . . . 71.4 112.112 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.76 -35.82 81.06 Favored 'General case' 0 N--CA 1.497 1.884 0 C-N-CA 123.054 0.542 . . . . 72.33 111.948 176.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.408 HG21 HG23 ' B' ' 15' ' ' ILE . 28.3 mt -66.0 -44.58 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 122.932 0.493 . . . . 62.42 111.343 173.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -59.34 -27.96 66.39 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 122.947 0.499 . . . . 74.54 112.164 177.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' B' ' 28' ' ' LYS . 14.1 mmmm -70.73 -47.16 61.15 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 122.767 0.427 . . . . 74.1 111.526 174.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.29 -30.32 67.31 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.341 0.656 . . . . 72.32 112.501 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 81.4 p -94.99 -21.94 18.27 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.101 0.96 . . . . 64.14 112.251 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 66.78 28.25 8.96 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 124.878 1.271 . . . . 74.14 112.034 -176.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 78.1 mt -72.63 128.39 35.41 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 116.08 -0.509 . . . . 70.22 109.781 172.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -80.0 -45.33 18.61 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.593 0.757 . . . . 75.1 110.002 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.89 142.37 28.96 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 115.228 -0.896 . . . . 54.43 111.829 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -69.29 -24.95 64.02 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.188 0.995 . . . . 72.25 110.817 170.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -52.91 -41.61 64.58 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.179 1.392 . . . . 64.31 112.643 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.31 -37.79 77.95 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.316 0.646 . . . . 65.21 111.057 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -60.27 -48.33 82.18 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 115.976 -0.556 . . . . 73.02 111.791 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -59.05 -35.41 73.28 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.174 0.59 . . . . 73.52 112.559 -175.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -73.02 -37.1 67.05 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.407 0.683 . . . . 62.22 111.546 176.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLY . . . . . 0.445 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -66.4 -54.8 21.28 Favored Glycine 0 CA--C 1.539 1.54 0 CA-C-N 116.59 -0.277 . . . . 55.13 112.743 175.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 68.6 tp -59.15 -35.34 73.35 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.418 1.087 . . . . 70.24 112.266 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.31 -33.56 84.94 Favored Glycine 0 N--CA 1.477 1.368 0 CA-C-O 121.45 0.472 . . . . 73.54 112.498 178.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' TRP . . . . . 0.516 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 9.7 t-105 -77.85 -31.89 51.74 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.398 0.679 . . . . 64.14 111.233 176.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.618 ' HB3' HG22 ' B' ' 55' ' ' VAL . 7.3 mp -62.34 -37.54 86.04 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.104 0.562 . . . . 54.22 111.469 172.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 94.2 mt -71.29 -35.6 71.37 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.485 0.714 . . . . 72.33 112.298 175.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' B' ' 48' ' ' TRP . 0.0 OUTLIER -68.94 -36.37 77.87 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 112.241 0.46 . . . . 74.01 112.241 -176.901 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.593 ' HB2' ' HG3' ' B' ' 54' ' ' LYS . 48.8 mt-10 -87.03 -19.23 28.96 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.722 0.409 . . . . 73.14 111.346 176.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 60.97 50.04 5.4 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 122.483 1.135 . . . . 75.11 111.071 -168.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.593 ' HG3' ' HB2' ' B' ' 52' ' ' GLU . 23.7 mtpp -76.83 -29.45 55.94 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 113.773 -1.558 . . . . 71.13 109.528 172.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.618 HG22 ' HB3' ' B' ' 49' ' ' LEU . 17.1 m -132.63 166.9 27.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 CA-C-N 115.201 -0.909 . . . . 73.31 111.526 -175.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.27 135.93 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.158 1.383 . . . . 55.11 108.886 167.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' THR . . . . . 0.43 HG23 HD11 ' A' ' 4' ' ' LEU . 2.5 t -127.74 152.51 47.66 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.576 0.703 . . . . 72.34 110.749 -176.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 71.0 m -120.83 139.74 52.73 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 114.693 -1.14 . . . . 62.11 109.939 -172.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.455 ' HB2' HD23 ' A' ' 4' ' ' LEU . 40.0 tt0 -96.78 101.3 12.87 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 107.648 -1.241 . . . . 74.35 107.648 177.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 72.3 t -123.65 109.2 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.915 0.886 . . . . 72.05 110.11 -169.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 53.89 30.89 12.28 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 125.129 1.371 . . . . 75.42 112.899 176.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.68 -21.4 41.44 Favored Glycine 0 CA--C 1.543 1.844 0 N-CA-C 114.631 0.612 . . . . 74.14 114.631 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -86.31 141.87 28.92 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.754 0.821 . . . . 71.21 111.84 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 49.0 mt -85.85 105.1 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.222 0 C-N-CA 123.57 0.748 . . . . 74.41 110.612 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -105.36 101.94 11.45 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.463 0.705 . . . . 75.45 110.366 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.608 HG23 HD21 ' B' ' 19' ' ' LEU . 33.8 m -99.53 150.29 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 123.969 0.907 . . . . 73.43 111.941 -172.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.506 ' HB3' ' HA2' ' B' ' 24' ' ' GLY . 19.3 pttm -158.21 160.43 37.15 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 123.419 0.688 . . . . 64.14 109.752 177.121 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.46 HD23 HG12 ' B' ' 55' ' ' VAL . 45.2 mt -65.62 160.23 23.04 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 118.9 0.773 . . . . 64.32 111.252 175.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 89.2 t . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 121.677 0.751 . . . . 62.33 109.31 170.277 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.671 0.272 . . . . 54.34 111.449 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -69.31 -53.71 18.28 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.29 1.036 . . . . 73.15 111.519 176.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.39 -28.34 67.85 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 122.747 0.419 . . . . 73.35 111.191 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -67.4 -45.66 75.52 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.385 1.074 . . . . 65.24 109.529 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.95 84.71 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.913 0.885 . . . . 43.55 111.674 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.3 -33.71 73.67 Favored Glycine 0 CA--C 1.539 1.559 0 CA-C-N 115.828 -0.624 . . . . 74.42 114.021 175.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.94 -42.59 85.05 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.241 0.616 . . . . 75.24 111.037 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.5 mt -64.74 -39.05 92.98 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.97 0.908 . . . . 64.53 111.088 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.502 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -56.27 -36.43 68.57 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.753 0.821 . . . . 40.34 112.31 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.52 -39.45 97.35 Favored Glycine 0 CA--C 1.54 1.616 0 CA-C-N 115.74 -0.664 . . . . 65.41 113.213 172.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -70.26 -53.35 17.31 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.407 0.683 . . . . 74.31 111.943 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.09 -44.05 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 C-N-CA 123.707 0.803 . . . . 63.32 110.55 -176.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -66.96 -40.34 87.46 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 112.276 0.473 . . . . 72.4 112.276 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -65.52 -26.36 67.87 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 118.559 0.618 . . . . 74.24 112.151 175.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.04 -31.31 68.88 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 123.048 0.539 . . . . 75.41 111.073 171.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.444 HD21 HG13 ' A' ' 66' ' ' VAL . 94.2 mt -85.82 -24.91 26.58 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.156 0.982 . . . . 64.25 112.237 176.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.523 ' HA ' HD11 ' A' ' 68' ' ' LEU . 64.3 t30 -73.18 125.45 27.75 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.151 0.58 . . . . 64.03 111.188 -173.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.56 11.15 80.52 Favored Glycine 0 CA--C 1.538 1.508 0 CA-C-N 116.008 -0.542 . . . . 74.25 114.132 -175.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.8 p -124.69 168.76 12.73 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.367 0.667 . . . . 64.23 110.382 176.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -76.03 -12.26 60.1 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 123.231 0.612 . . . . 74.31 111.46 173.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.57 158.16 7.64 Favored Glycine 0 C--N 1.34 0.776 0 N-CA-C 111.173 -0.771 . . . . 40.31 111.173 -170.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.4 tp -147.1 148.18 31.33 Favored 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 117.132 0.466 . . . . 72.42 110.098 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.1 p -85.08 164.2 18.35 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.07 0.548 . . . . 74.15 111.4 -178.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -52.84 -50.4 63.81 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.987 0.915 . . . . 74.03 112.696 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -56.29 -48.13 77.25 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.756 0.822 . . . . 75.44 112.196 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -73.37 -27.08 61.29 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 115.577 -0.738 . . . . 74.22 112.365 -175.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.2 mt -72.64 -48.13 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 122.806 0.443 . . . . 61.13 110.38 173.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -61.14 -26.08 67.44 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 123.417 0.687 . . . . 63.54 111.843 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -66.43 -53.82 31.27 Favored 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 123.983 0.913 . . . . 74.34 110.985 169.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.15 -26.23 64.77 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.747 0.819 . . . . 61.13 112.95 -175.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.4 p -98.35 -18.91 18.07 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.301 1.04 . . . . 70.53 111.922 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt 68.94 26.43 5.76 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 124.63 1.172 . . . . 73.41 112.208 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.44 102.49 5.2 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.123 -0.489 . . . . 61.3 110.31 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -61.31 -43.97 97.99 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.265 1.026 . . . . 73.14 110.822 174.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.96 146.14 28.17 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.37 0.668 . . . . 74.1 112.306 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.11 -36.28 81.59 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.437 1.095 . . . . 52.42 111.71 171.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -53.75 -48.29 69.83 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 125.225 1.41 . . . . 73.13 112.626 -173.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.86 -29.46 70.41 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 114.864 -1.062 . . . . 73.3 112.218 -176.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -65.11 -45.64 84.3 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.359 -0.382 . . . . 74.42 110.8 173.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -67.64 -36.62 81.13 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.16 0.584 . . . . 72.12 112.165 -176.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.86 -41.31 75.03 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.203 0.601 . . . . 73.44 111.138 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.465 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -65.17 -53.75 31.36 Favored Glycine 0 C--N 1.352 1.463 0 CA-C-N 116.321 -0.4 . . . . 74.43 113.09 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.416 HD11 HG21 ' A' ' 66' ' ' VAL . 56.8 tp -63.11 -33.69 76.0 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.391 1.077 . . . . 72.31 111.907 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.39 -31.22 68.59 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-N 115.606 -0.724 . . . . 61.14 112.825 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.502 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 39.6 t-105 -74.45 -28.43 61.04 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 123.025 0.53 . . . . 72.23 111.226 177.216 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.656 HD23 HG11 ' A' ' 55' ' ' VAL . 4.4 mp -62.51 -28.99 70.22 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 123.93 0.892 . . . . 72.15 111.726 173.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.77 -33.23 75.21 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.691 0.796 . . . . 54.5 112.165 172.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.674 ' HG2' ' HA ' ' B' ' 51' ' ' ARG . 8.2 mtp180 -58.05 -40.03 79.95 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.417 0.627 . . . . 64.02 111.2 172.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -85.57 -27.14 25.71 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.087 -0.96 . . . . 75.24 111.27 -175.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 60.0 27.11 16.47 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.573 1.149 . . . . 71.33 111.418 -174.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -85.06 -3.59 58.85 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.186 -0.915 . . . . 74.35 111.489 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.656 HG11 HD23 ' A' ' 49' ' ' LEU . 25.6 m -131.82 164.56 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.695 0.798 . . . . 63.15 111.019 177.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.58 137.77 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.961 0 C-N-CA 124.333 1.053 . . . . 60.24 109.584 173.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.1 p -104.05 139.94 38.45 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.309 0.644 . . . . 63.02 111.544 -170.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.9 m -125.48 144.35 50.58 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.45 1.1 . . . . 54.24 110.425 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -97.91 105.07 17.16 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.98 -0.748 . . . . 72.43 108.98 176.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.4 t -113.29 109.88 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.281 0.633 . . . . 75.31 110.498 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 53.01 31.67 11.48 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 114.2 1.185 . . . . 64.01 114.2 169.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.54 -2.42 64.9 Favored Glycine 0 CA--C 1.54 1.61 0 N-CA-C 115.339 0.896 . . . . 65.21 115.339 177.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -114.33 154.15 28.53 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 118.435 1.118 . . . . 61.31 112.071 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.1 mt -77.18 110.09 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-N 115.672 -0.695 . . . . 75.54 110.679 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -104.56 142.36 34.78 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 108.554 -0.906 . . . . 73.54 108.554 167.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.444 HG13 HD21 ' A' ' 19' ' ' LEU . 5.7 p -139.16 149.83 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 122.776 0.43 . . . . 42.43 110.056 173.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.89 153.62 42.51 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.281 0.632 . . . . 64.22 110.733 -175.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' A' ' 20' ' ' ASN . 51.2 mt -71.52 144.84 49.48 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.724 0.297 . . . . 72.25 110.906 175.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 t . . . . . 0 CA--C 1.569 1.682 0 CA-C-O 121.412 0.625 . . . . 72.15 110.022 173.157 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 86.5 mtp . . . . . 0 CA--C 1.547 0.855 0 N-CA-C 109.96 -0.385 . . . . 51.2 109.96 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.27 -13.83 42.7 Favored 'General case' 0 CA--C 1.563 1.479 0 C-N-CA 123.528 0.731 . . . . 73.12 112.491 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -66.37 -40.18 89.59 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.191 0.996 . . . . 64.52 110.817 172.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -69.53 -41.05 76.51 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.035 0.445 . . . . 63.31 109.93 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -60.79 -34.25 74.21 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.681 0.792 . . . . 72.52 111.205 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.84 -44.45 86.53 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.67 0.788 . . . . 72.13 111.597 171.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.25 -32.49 76.17 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 115.918 -0.583 . . . . 42.33 114.144 176.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.79 -40.52 88.15 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.352 0.661 . . . . 40.41 111.76 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.87 -40.65 91.84 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.448 0.699 . . . . 71.52 110.822 172.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.588 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -59.54 -38.47 81.12 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.737 0.815 . . . . 74.44 113.162 -177.116 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' B' ' 17' ' ' GLU . . . -59.35 -53.62 44.71 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 123.664 0.603 . . . . 62.13 113.289 178.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -70.84 -30.97 67.53 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.194 0.598 . . . . 75.44 112.411 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.566 HD12 ' HA3' ' B' ' 45' ' ' GLY . 64.1 mt -67.35 -46.03 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 122.943 0.497 . . . . 73.53 110.826 176.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -56.86 -41.26 77.62 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 123.799 0.84 . . . . 62.43 111.418 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' B' ' 13' ' ' GLY . 52.5 mt-10 -62.67 -35.04 78.39 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.767 0.827 . . . . 65.14 112.438 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 -33.12 75.24 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.309 0.643 . . . . 71.22 111.579 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 mp -83.24 -22.85 32.98 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.508 0.723 . . . . 62.44 111.502 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -74.26 126.7 31.2 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.931 0.492 . . . . 64.34 109.826 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.49 -13.9 66.49 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 114.048 0.379 . . . . 75.43 114.048 -175.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 46.2 p -110.36 172.72 6.7 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.529 0.732 . . . . 72.44 110.204 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -79.75 0.15 31.88 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 122.877 0.471 . . . . 64.24 111.915 172.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.21 154.41 14.45 Favored Glycine 0 C--N 1.346 1.109 0 N-CA-C 111.971 -0.452 . . . . 73.23 111.971 -171.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 95.9 mt -131.78 154.6 48.92 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.721 0.808 . . . . 75.34 110.453 -175.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' B' ' 65' ' ' PHE . 43.5 p -77.49 163.6 26.19 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 109.362 -0.607 . . . . 62.35 109.362 172.008 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLN . . . . . 0.759 ' HG3' ' HD2' ' B' ' 28' ' ' LYS . 4.4 pt20 -52.57 -40.04 62.18 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 112.797 0.666 . . . . 73.15 112.797 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.759 ' HD2' ' HG3' ' B' ' 27' ' ' GLN . 0.3 OUTLIER -63.54 -42.17 98.43 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 123.455 0.702 . . . . 74.32 111.605 177.101 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLN . . . . . 0.529 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 17.1 mm-40 -67.97 -42.56 80.68 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.391 0.676 . . . . 71.35 111.477 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.462 HG21 HG23 ' B' ' 15' ' ' ILE . 78.5 mt -63.58 -45.57 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.707 0.803 . . . . 73.41 110.926 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -51.0 -44.48 60.96 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.846 0.858 . . . . 74.34 112.335 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -67.4 -40.18 85.59 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.363 0.665 . . . . 71.44 111.655 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.33 69.53 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.323 0.649 . . . . 71.4 112.3 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.482 HG21 ' HA ' ' B' ' 15' ' ' ILE . 73.5 p -95.78 -7.31 37.48 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 123.964 0.906 . . . . 73.45 112.465 -176.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt 72.94 18.05 4.09 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 125.386 1.474 . . . . 73.2 111.681 177.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 mp -70.4 109.64 4.87 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.253 1.021 . . . . 74.32 110.224 172.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -29.99 66.84 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.926 0.49 . . . . 73.14 111.028 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.9 144.88 49.5 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.113 0.965 . . . . 74.23 111.619 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.02 -23.77 67.46 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.151 0.981 . . . . 75.01 110.968 171.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -53.19 -41.23 65.06 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.518 1.127 . . . . 75.13 112.251 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.56 -48.74 66.06 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.202 0.601 . . . . 73.31 109.588 173.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -55.21 -35.95 65.43 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.184 0.993 . . . . 74.14 113.412 -177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -66.12 -33.12 75.05 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 118.327 0.512 . . . . 73.22 111.95 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -72.79 -43.61 62.57 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.139 0.575 . . . . 63.23 110.471 173.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLY . . . . . 0.566 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -65.02 -60.68 6.55 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-N 116.259 -0.428 . . . . 42.52 113.324 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 62.2 tp -53.56 -35.07 60.37 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.103 0.961 . . . . 75.33 112.379 170.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.46 -33.41 84.61 Favored Glycine 0 CA--C 1.533 1.162 0 N-CA-C 112.34 -0.304 . . . . 75.03 112.34 176.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' TRP . . . . . 0.588 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 35.9 t-105 -77.49 -33.8 54.4 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.475 0.71 . . . . 72.55 111.675 173.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.685 ' HB3' HG22 ' B' ' 55' ' ' VAL . 8.7 mp -60.0 -34.55 73.49 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.244 0.618 . . . . 73.54 111.548 171.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 93.9 mt -77.51 -34.59 54.05 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.296 0.638 . . . . 64.41 111.03 171.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.674 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -55.28 -47.94 74.76 Favored 'General case' 0 N--CA 1.499 2.016 0 C-N-CA 124.385 1.074 . . . . 72.45 111.931 -178.2 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.424 ' HB2' ' HG3' ' B' ' 54' ' ' LYS . 43.8 mt-10 -95.59 -0.32 52.03 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 111.948 0.351 . . . . 71.31 111.948 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 58.38 42.05 22.02 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.88 0.872 . . . . 64.23 111.362 -173.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.424 ' HG3' ' HB2' ' B' ' 52' ' ' GLU . 22.0 mtpp -71.33 -34.91 70.96 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.668 1.187 . . . . 70.35 110.741 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.685 HG22 ' HB3' ' B' ' 49' ' ' LEU . 15.7 m -133.64 178.53 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 CA-C-O 121.581 0.705 . . . . 75.21 112.036 -173.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -130.58 136.75 57.71 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 C-N-CA 124.818 1.247 . . . . 71.42 109.967 172.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 66.6 p -105.6 155.57 19.09 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.422 0.689 . . . . 64.34 110.459 -178.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 68.3 m -140.79 143.6 34.96 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.838 0.855 . . . . 74.23 110.318 -177.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -97.67 103.76 15.72 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.56 -0.904 . . . . 73.15 108.56 174.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 86.0 t -107.94 102.04 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 108.662 -0.866 . . . . 41.42 108.662 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 44.45 43.69 6.43 Favored 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 125.311 1.444 . . . . 72.22 113.448 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.2 -25.29 28.28 Favored Glycine 0 CA--C 1.542 1.764 0 N-CA-C 115.239 0.855 . . . . 74.03 115.239 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -78.56 136.23 37.49 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 117.708 0.754 . . . . 74.34 112.067 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 69.2 mt -83.24 95.02 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.289 0 N-CA-C 109.801 -0.444 . . . . 71.15 109.801 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 65.6 t80 -92.75 115.11 27.81 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.256 1.022 . . . . 73.12 110.725 178.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 25.7 t -111.04 142.61 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 123.46 0.704 . . . . 71.02 110.964 -174.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -152.78 152.13 31.26 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 122.73 0.412 . . . . 60.21 110.745 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.402 HD23 HG12 ' B' ' 55' ' ' VAL . 44.8 mt -62.21 151.41 36.21 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 112.357 0.503 . . . . 44.02 112.357 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 108.47 -0.937 . . . . 51.31 108.47 167.143 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.0 mt . . . . . 0 CA--C 1.558 1.276 0 N-CA-C 111.742 0.275 . . . . 65.55 111.742 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.549 ' HG2' ' HZ3' ' A' ' 48' ' ' TRP . 27.5 ttmt -70.52 -30.6 67.4 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 122.877 0.471 . . . . 74.1 110.812 172.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -67.45 -44.3 79.01 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.231 0.613 . . . . 74.11 112.435 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.27 -28.21 67.0 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 111.534 0.198 . . . . 74.3 111.534 176.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.29 98.63 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.923 0.489 . . . . 64.12 111.102 174.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.81 -38.78 49.14 Favored Glycine 0 CA--C 1.536 1.385 0 CA-C-N 115.638 -0.71 . . . . 34.43 114.006 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.35 92.09 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.564 0.746 . . . . 74.31 111.893 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.504 HD13 ' HB3' ' A' ' 41' ' ' ASP . 90.1 mt -69.89 -38.2 76.28 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.668 -0.696 . . . . 75.03 111.064 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.99 -34.4 69.94 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.996 0.518 . . . . 75.0 112.251 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.75 -55.28 31.31 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-N 115.59 -0.732 . . . . 70.3 113.467 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.58 -31.09 66.56 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.068 0.547 . . . . 52.55 112.407 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.2 mt -64.0 -49.11 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 C-N-CA 123.17 0.588 . . . . 73.24 110.268 174.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -64.11 -40.75 96.88 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-N 115.939 -0.573 . . . . 75.11 111.614 178.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.17 -31.37 72.52 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.289 0.636 . . . . 75.33 111.653 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.31 -33.69 73.55 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.37 0.668 . . . . 54.13 111.14 172.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.4 mt -80.3 -23.09 40.94 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.945 0.898 . . . . 64.34 112.315 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.467 ' HA ' HD11 ' A' ' 68' ' ' LEU . 23.1 t-20 -68.58 120.42 14.57 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.02 0.528 . . . . 62.33 111.394 -177.31 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.88 -28.99 13.05 Favored Glycine 0 CA--C 1.538 1.506 0 CA-C-N 115.754 -0.657 . . . . 53.32 112.809 -170.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.587 HG22 ' H ' ' A' ' 24' ' ' GLY . 11.7 m -88.67 154.15 20.53 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.02 0.928 . . . . 64.12 110.727 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -84.83 -8.25 58.87 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.486 0.714 . . . . 70.31 112.593 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.587 ' H ' HG22 ' A' ' 22' ' ' THR . . . 146.83 143.34 3.86 Favored Glycine 0 C--N 1.346 1.105 0 N-CA-C 113.492 0.157 . . . . 73.44 113.492 -177.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.482 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 93.9 mt -136.0 158.63 43.94 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.343 1.057 . . . . 73.32 110.256 177.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.5 p -86.77 172.36 10.21 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.32 0.248 . . . . 73.44 110.473 171.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -51.46 -45.38 62.7 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.764 0.826 . . . . 61.11 111.882 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -63.42 -39.34 94.22 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.91 0.884 . . . . 64.31 112.954 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.482 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 7.2 mm-40 -70.56 -37.28 73.97 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.199 0.523 . . . . 71.02 111.38 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.3 mt -68.21 -39.69 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 115.487 -0.779 . . . . 62.44 111.202 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.404 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 10.1 mmmm -53.56 -39.56 64.86 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 123.521 0.728 . . . . 75.44 112.1 175.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -70.5 -44.15 68.21 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 122.965 0.506 . . . . 52.33 111.583 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.8 -23.01 61.49 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.751 1.019 . . . . 61.25 113.751 -174.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.435 ' OG1' ' HG ' ' A' ' 36' ' ' LEU . 75.9 p -121.76 -9.38 8.86 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 113.092 0.775 . . . . 73.03 113.092 -177.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? 52.86 40.52 30.92 Favored 'General case' 0 N--CA 1.504 2.262 0 C-N-CA 125.777 1.631 . . . . 73.53 113.271 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.435 ' HG ' ' OG1' ' A' ' 34' ' ' THR . 83.4 mt -56.14 126.58 26.67 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 115.583 -0.735 . . . . 71.33 110.786 177.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.643 ' HD3' ' H ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -63.57 -32.6 74.11 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.011 0.925 . . . . 65.35 111.209 -169.419 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.41 162.67 34.77 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.43 1.092 . . . . 72.52 109.872 169.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.02 -24.36 66.0 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.911 0.485 . . . . 61.21 110.333 169.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -51.94 -38.07 55.12 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.183 0.993 . . . . 74.31 111.308 171.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.504 ' HB3' HD13 ' A' ' 11' ' ' LEU . 44.3 m-20 -67.37 -38.04 84.13 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.711 0.804 . . . . 64.3 111.414 175.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -62.04 -43.75 98.17 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.484 0.714 . . . . 73.24 112.034 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -65.3 -36.13 83.14 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 122.979 0.512 . . . . 74.33 112.21 -174.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -71.99 -37.97 69.77 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 122.984 0.514 . . . . 64.3 111.076 175.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.59 -45.99 86.74 Favored Glycine 0 CA--C 1.539 1.581 0 CA-C-N 116.549 -0.296 . . . . 53.11 112.884 175.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.7 tp -64.59 -31.02 72.05 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.674 1.19 . . . . 72.25 111.504 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.2 -33.06 85.89 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-N 116.116 -0.493 . . . . 62.34 112.307 176.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.549 ' HZ3' ' HG2' ' A' ' 5' ' ' LYS . 8.7 t-105 -77.9 -32.27 51.68 Favored 'General case' 0 CA--C 1.56 1.339 0 C-N-CA 123.931 0.893 . . . . 73.35 111.558 175.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.478 ' HB3' HG22 ' A' ' 55' ' ' VAL . 7.7 mp -58.09 -46.01 86.22 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.156 0.582 . . . . 70.13 110.933 170.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.4 mt -70.37 -33.59 71.61 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.038 0.935 . . . . 62.51 111.513 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.523 ' HD2' ' HA ' ' B' ' 51' ' ' ARG . 28.4 ttt180 -54.97 -49.86 70.37 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.967 0.907 . . . . 71.54 112.579 177.002 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.507 ' HB2' ' HG3' ' A' ' 54' ' ' LYS . 33.3 mt-10 -94.74 -6.99 41.84 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.58 -0.736 . . . . 62.04 111.099 -177.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 58.95 36.03 24.34 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.769 1.228 . . . . 54.22 111.411 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.507 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 48.5 mtmt -72.69 -18.13 61.57 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.057 -0.974 . . . . 72.23 111.134 177.162 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.478 HG22 ' HB3' ' A' ' 49' ' ' LEU . 20.6 m -129.53 168.55 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.606 0.762 . . . . 72.1 110.584 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.593 HG13 HG22 ' A' ' 69' ' ' VAL . 6.0 m -130.43 139.28 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.77 1.228 . . . . 74.43 108.818 168.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.655 HG22 HG12 ' A' ' 66' ' ' VAL . 41.5 p -109.58 132.86 53.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.227 0.611 . . . . 60.23 111.445 -169.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.467 ' HB2' ' HD2' ' A' ' 65' ' ' PHE . 44.3 m -115.71 137.97 51.57 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.114 0.966 . . . . 71.32 109.505 176.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -96.08 101.33 12.98 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.985 -0.746 . . . . 73.13 108.985 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.408 HG12 ' HG3' ' A' ' 61' ' ' GLU . 81.7 t -121.66 114.03 41.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.099 0.959 . . . . 71.24 110.251 -169.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.408 ' HG3' HG12 ' A' ' 60' ' ' VAL . 27.0 mt-10 60.56 30.77 19.99 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.978 1.311 . . . . 71.04 112.693 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.66 0.0 46.12 Favored Glycine 0 CA--C 1.543 1.805 0 N-CA-C 114.744 0.658 . . . . 53.23 114.744 -173.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -98.75 155.04 17.55 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.912 0.885 . . . . 60.12 111.146 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.8 mt -74.45 104.69 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 CA-C-N 115.238 -0.892 . . . . 73.24 110.52 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.467 ' HD2' ' HB2' ' A' ' 58' ' ' SER . 87.9 t80 -109.2 131.36 55.14 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.72 -0.845 . . . . 72.25 108.72 168.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.655 HG12 HG22 ' A' ' 57' ' ' THR . 19.6 m -125.77 159.11 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.515 0.726 . . . . 51.21 110.182 -179.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.577 ' HG3' HG23 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -152.79 167.97 27.26 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.776 0.83 . . . . 64.23 109.484 174.737 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.467 HD11 ' HA ' ' A' ' 20' ' ' ASN . 32.4 mt -84.62 164.08 18.89 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 118.785 0.721 . . . . 61.32 112.284 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.593 HG22 HG13 ' A' ' 56' ' ' VAL . 55.2 t . . . . . 0 CA--C 1.55 0.955 0 CA-C-N 114.954 -1.021 . . . . 73.03 109.874 174.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 20.0 ptm . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.788 0.327 . . . . 73.54 110.521 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.5 mp -53.54 -30.23 40.69 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.589 0.756 . . . . 72.11 112.382 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -64.93 -38.61 91.55 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 123.049 0.54 . . . . 73.11 112.052 -177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -65.94 -51.12 61.31 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.047 0.539 . . . . 73.43 111.263 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -23.27 60.38 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 112.236 0.458 . . . . 70.42 112.236 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.84 94.74 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 122.942 0.497 . . . . 74.52 111.104 170.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.98 -32.3 76.84 Favored Glycine 0 CA--C 1.537 1.45 0 CA-C-N 115.72 -0.673 . . . . 75.51 113.569 174.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.19 -43.2 78.64 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.223 0.609 . . . . 71.21 111.271 175.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.98 -36.1 82.38 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.334 0.654 . . . . 71.52 110.781 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.3 -46.18 91.38 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.678 0.791 . . . . 43.43 112.929 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.8 -53.04 38.54 Favored Glycine 0 C--N 1.347 1.14 0 O-C-N 124.128 0.892 . . . . 73.23 113.913 -175.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -65.0 -37.79 88.81 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 123.486 0.714 . . . . 64.43 112.544 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.698 HG23 HG21 ' B' ' 30' ' ' ILE . 77.3 mt -66.47 -43.47 90.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 C-N-CA 123.701 0.8 . . . . 71.22 111.838 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -61.97 -43.08 99.6 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.623 0.769 . . . . 75.13 111.523 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -64.46 -30.38 71.42 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.423 0.689 . . . . 73.11 112.434 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -33.26 74.59 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.197 0.522 . . . . 73.12 111.308 172.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.584 HD21 HD11 ' B' ' 30' ' ' ILE . 88.2 mt -87.43 -20.45 26.61 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.992 0.917 . . . . 63.42 112.563 177.207 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -70.46 124.65 24.72 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.89 0.476 . . . . 74.35 111.098 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.77 4.79 88.36 Favored Glycine 0 CA--C 1.54 1.594 0 CA-C-N 116.095 -0.502 . . . . 62.45 113.296 -173.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.547 HG22 ' H ' ' B' ' 24' ' ' GLY . 29.6 m -122.89 147.63 46.36 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.59 1.156 . . . . 64.25 109.745 -176.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.17 -22.28 62.06 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.789 0.436 . . . . 73.22 111.96 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.547 ' H ' HG22 ' B' ' 22' ' ' THR . . . 148.52 147.53 4.55 Favored Glycine 0 C--N 1.348 1.236 0 CA-C-N 116.225 -0.443 . . . . 73.32 112.061 -174.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.47 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 87.3 mt -138.95 159.01 43.16 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.789 0.835 . . . . 73.1 111.02 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 29.9 p -82.37 168.91 17.04 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 116.066 -0.516 . . . . 74.02 110.536 172.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -60.7 -31.64 70.9 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.39 0.276 . . . . 72.11 111.666 175.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -63.82 -48.9 74.97 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.645 0.778 . . . . 73.32 111.585 176.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLN . . . . . 0.47 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 80.4 mm-40 -63.63 -47.29 81.95 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 115.568 -0.742 . . . . 62.44 111.506 -178.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.698 HG21 HG23 ' B' ' 15' ' ' ILE . 83.9 mt -68.08 -49.46 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 115.317 -0.856 . . . . 62.11 111.808 -177.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -59.46 -36.71 76.48 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 122.932 0.493 . . . . 44.45 110.958 -175.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -68.64 -47.89 65.44 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.779 0.832 . . . . 73.45 110.688 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.29 -31.59 71.42 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.42 0.688 . . . . 62.15 112.384 -178.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 80.8 p -93.18 -10.91 34.12 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.442 1.097 . . . . 54.35 112.107 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt 71.98 19.75 4.59 Favored 'General case' 0 CA--C 1.569 1.675 0 C-N-CA 124.956 1.303 . . . . 71.55 111.5 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.412 HD22 ' HB3' ' B' ' 41' ' ' ASP . 96.7 mt -75.94 154.71 35.73 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.474 0.71 . . . . 62.24 109.963 173.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -117.94 -40.05 3.03 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 112.514 0.561 . . . . 65.11 112.514 -170.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.21 150.11 20.61 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.635 0.774 . . . . 64.14 111.105 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -58.78 -34.92 71.99 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.515 1.126 . . . . 73.04 111.088 171.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -60.55 -37.06 80.03 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.036 1.334 . . . . 73.43 111.805 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.412 ' HB3' HD22 ' B' ' 36' ' ' LEU . 65.5 m-20 -61.29 -38.44 86.8 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.335 0.654 . . . . 72.13 110.941 178.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -70.94 -38.29 72.87 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.348 -0.842 . . . . 73.21 111.4 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -72.35 -44.14 63.05 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.333 0.494 . . . . 70.31 112.333 -175.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 mp -66.75 -31.55 72.28 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.147 0.579 . . . . 74.14 111.1 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLY . . . . . 0.572 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -74.38 -50.48 9.89 Favored Glycine 0 CA--C 1.538 1.503 0 CA-C-N 116.144 -0.48 . . . . 54.41 113.256 173.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 55.5 tp -64.37 -31.41 72.6 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.977 0.911 . . . . 64.43 111.722 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.98 -31.21 71.77 Favored Glycine 0 CA--C 1.535 1.293 0 CA-C-N 115.869 -0.605 . . . . 42.42 112.802 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' TRP . . . . . 0.495 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 7.1 t-105 -77.0 -34.12 57.53 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-O 121.583 0.706 . . . . 71.3 111.185 174.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.489 HD23 HG11 ' B' ' 55' ' ' VAL . 6.6 mp -66.0 -30.67 71.26 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.873 -0.517 . . . . 74.32 110.746 174.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.56 -36.13 57.8 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.124 0.97 . . . . 73.22 111.253 172.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.523 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -64.51 -35.71 81.84 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 122.526 0.33 . . . . 64.31 111.864 -178.755 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -95.89 0.65 52.28 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.193 0.597 . . . . 72.02 112.401 175.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 63.39 15.06 8.42 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 124.381 1.072 . . . . 25.14 112.166 176.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -84.22 6.02 24.31 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.906 0.882 . . . . 60.4 112.403 -172.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.489 HG11 HD23 ' B' ' 49' ' ' LEU . 29.5 m -137.38 171.69 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.658 0.783 . . . . 51.55 110.511 165.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.512 HG13 ' NZ ' ' B' ' 67' ' ' LYS . 7.4 p -143.42 144.62 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 114.742 -1.117 . . . . 74.23 108.642 169.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' THR . . . . . 0.511 HG22 HG12 ' B' ' 66' ' ' VAL . 74.5 p -100.3 156.21 17.36 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.082 0.553 . . . . 71.52 111.386 -168.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 47.0 t -146.82 160.46 42.25 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.908 0.883 . . . . 73.12 110.011 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -107.51 117.82 35.09 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.769 0.828 . . . . 72.14 108.833 174.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 40.5 t -114.91 107.87 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 122.889 0.476 . . . . 75.3 110.368 170.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 54.5 33.27 18.5 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 124.501 1.121 . . . . 73.13 112.885 174.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.88 13.43 60.83 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 115.934 -0.576 . . . . 64.35 114.023 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -115.36 146.57 41.44 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.502 0.721 . . . . 71.42 111.741 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 62.9 mt -74.93 108.28 6.41 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 C-N-CA 123.065 0.546 . . . . 71.13 110.387 174.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -115.5 104.16 11.47 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.63 1.172 . . . . 72.14 109.412 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.511 HG12 HG22 ' B' ' 57' ' ' THR . 34.7 m -109.71 156.51 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 123.078 0.551 . . . . 70.32 111.704 -176.144 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.512 ' NZ ' HG13 ' B' ' 56' ' ' VAL . 0.0 OUTLIER -158.66 154.93 27.24 Favored 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 122.924 0.49 . . . . 60.42 111.812 -174.889 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.474 HD23 HG12 ' B' ' 55' ' ' VAL . 39.8 mt -70.68 81.0 0.6 Allowed 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 112.72 0.637 . . . . 61.24 112.72 -174.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 23.8 t . . . . . 0 CA--C 1.58 2.112 0 C-N-CA 124.303 1.041 . . . . 65.55 112.38 176.32 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tm? . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 110.291 -0.262 . . . . 74.13 110.291 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -59.25 -37.43 77.57 Favored 'General case' 0 CA--C 1.559 1.293 0 N-CA-C 113.031 0.752 . . . . 75.24 113.031 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -77.49 -43.76 31.1 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.571 0.749 . . . . 74.54 111.804 -175.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -70.02 -41.31 74.45 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 111.664 0.246 . . . . 53.41 111.664 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.69 -32.0 73.47 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.258 0.623 . . . . 53.51 110.712 174.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.14 -32.0 66.02 Favored Glycine 0 CA--C 1.541 1.676 0 CA-C-N 115.679 -0.691 . . . . 72.3 113.791 174.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.48 -45.46 65.64 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.413 0.685 . . . . 74.43 111.067 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.34 -37.96 85.17 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.768 0.827 . . . . 45.2 110.638 172.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.72 92.53 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.572 0.749 . . . . 75.35 112.93 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.69 -47.41 71.02 Favored Glycine 0 CA--C 1.536 1.401 0 O-C-N 123.832 0.708 . . . . 51.12 114.282 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -74.51 -38.47 62.81 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.423 0.689 . . . . 73.43 112.789 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.468 HD12 ' HA3' ' A' ' 45' ' ' GLY . 89.1 mt -69.37 -43.1 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 C-N-CA 122.63 0.372 . . . . 52.33 110.992 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -55.81 -45.25 78.33 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.722 0.809 . . . . 64.41 110.408 171.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -32.54 74.29 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 123.949 0.9 . . . . 73.13 111.271 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.77 -35.17 78.2 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.435 0.694 . . . . 64.42 111.04 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.4 mt -82.75 -16.03 49.55 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 123.703 0.801 . . . . 72.14 112.03 175.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -70.96 130.59 41.99 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 109.521 -0.548 . . . . 61.4 109.521 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.84 -38.62 3.16 Favored Glycine 0 CA--C 1.539 1.546 0 CA-C-N 116.246 -0.434 . . . . 73.23 112.825 -172.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.458 HG22 ' H ' ' A' ' 24' ' ' GLY . 2.6 m -88.64 149.01 23.75 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.763 0.825 . . . . 74.34 110.641 -177.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.31 1.06 55.95 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.045 0.538 . . . . 43.52 111.153 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.569 ' HA2' ' HB3' ' A' ' 67' ' ' LYS . . . 156.07 139.33 2.73 Favored Glycine 0 C--N 1.35 1.33 0 CA-C-O 120.076 -0.291 . . . . 72.11 112.683 -179.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.9 tp -151.63 150.49 30.33 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-N 117.183 0.492 . . . . 72.25 110.392 -177.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 79.5 p -88.53 156.61 18.98 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 122.894 0.478 . . . . 70.31 111.459 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -50.95 -40.75 58.27 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 124.885 1.274 . . . . 72.14 113.926 -174.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -69.73 -36.85 76.2 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.863 0.865 . . . . 62.35 112.517 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -77.81 -30.59 51.26 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.984 0.514 . . . . 73.13 111.091 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.5 mt -68.56 -45.46 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 123.364 0.666 . . . . 72.43 111.197 175.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -65.46 -25.5 67.52 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 122.527 0.331 . . . . 71.23 111.74 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -67.01 -50.25 62.72 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.078 0.551 . . . . 72.34 110.773 169.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.77 -34.14 77.49 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.765 0.826 . . . . 72.51 112.483 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.8 p -96.84 -7.19 34.18 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.37 1.068 . . . . 73.31 112.58 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? 65.88 30.31 9.96 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 124.752 1.221 . . . . 74.34 112.597 176.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.5 mt -75.91 129.6 37.2 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.237 0.615 . . . . 62.11 110.359 176.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -67.97 -49.52 61.18 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.342 0.657 . . . . 62.41 109.683 174.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.9 149.43 37.21 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.466 0.706 . . . . 63.23 112.023 -175.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.85 -22.08 66.51 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.378 1.071 . . . . 74.42 111.531 170.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -55.87 -37.55 68.96 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.733 0.813 . . . . 73.41 112.195 173.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.46 -34.15 75.44 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.163 0.585 . . . . 61.04 110.799 174.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -68.58 -33.25 73.74 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.812 -0.631 . . . . 62.33 111.28 174.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -72.28 -38.85 68.69 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 118.11 0.414 . . . . 73.04 111.973 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.36 -40.58 73.96 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 122.966 0.507 . . . . 64.04 111.105 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.468 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -66.36 -55.53 17.9 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-N 116.151 -0.477 . . . . 72.13 113.171 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.2 -33.98 74.34 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 124.14 0.976 . . . . 72.11 111.884 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.36 -33.69 87.93 Favored Glycine 0 N--CA 1.474 1.217 0 N-CA-C 112.147 -0.381 . . . . 73.12 112.147 175.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.509 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 51.2 t-105 -72.19 -39.4 68.65 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 122.943 0.497 . . . . 65.25 110.536 172.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.649 HD23 HG11 ' A' ' 55' ' ' VAL . 6.9 mp -57.05 -37.12 71.36 Favored 'General case' 0 N--CA 1.5 2.025 0 C-N-CA 123.409 0.683 . . . . 73.22 112.284 174.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.91 -42.96 80.32 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.704 0.802 . . . . 73.52 111.722 177.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.908 ' HB2' ' HB3' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -73.46 -22.69 60.11 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 120.561 0.22 . . . . 71.43 111.563 178.511 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.431 ' HB3' ' HE2' ' A' ' 54' ' ' LYS . 9.7 mm-40 -77.42 -22.16 51.98 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.056 0.943 . . . . 73.1 111.744 173.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.4 t0 64.61 22.27 12.6 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 124.288 1.035 . . . . 52.15 111.148 -177.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' ' 52' ' ' GLU . 53.8 mtmt -95.26 0.62 54.04 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.141 0.576 . . . . 73.41 112.431 -177.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.649 HG11 HD23 ' A' ' 49' ' ' LEU . 33.2 m -136.89 170.8 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 CA-C-O 121.987 0.898 . . . . 50.42 113.357 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.483 HG13 ' HE3' ' A' ' 67' ' ' LYS . 4.7 p -134.07 137.32 52.26 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 CA-C-N 113.812 -1.54 . . . . 71.54 109.681 165.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 82.6 p -103.56 156.84 17.47 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.593 0.757 . . . . 54.24 110.912 -175.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.2 t -153.95 171.01 19.68 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.876 0.87 . . . . 51.32 110.191 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -120.52 125.34 47.6 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.975 0.51 . . . . 71.25 111.101 176.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -110.25 107.39 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 109.087 -0.708 . . . . 75.1 109.087 167.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 52.45 48.44 22.6 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 125.372 1.469 . . . . 64.24 113.721 173.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.37 -3.63 86.88 Favored Glycine 0 C--N 1.352 1.429 0 N-CA-C 114.914 0.726 . . . . 64.03 114.914 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -117.16 152.02 35.64 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 117.626 0.713 . . . . 64.01 111.246 -175.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.1 mt -77.89 118.18 24.4 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.152 0 C-N-CA 123.054 0.542 . . . . 44.44 111.673 -173.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -117.44 110.89 18.56 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.09 1.356 . . . . 73.55 108.941 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.0 m -120.26 159.6 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.765 -0.584 . . . . 74.34 112.149 -175.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.569 ' HB3' ' HA2' ' A' ' 24' ' ' GLY . 0.2 OUTLIER -154.42 167.59 29.5 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.45 0.7 . . . . 74.24 109.805 178.537 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.526 HD23 HG12 ' A' ' 55' ' ' VAL . 58.8 mt -71.01 171.32 11.05 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.619 0.247 . . . . 71.32 110.934 173.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 N--CA 1.484 1.262 0 N-CA-C 109.202 -0.666 . . . . 65.32 109.202 172.436 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 72.2 mtm . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 121.455 0.645 . . . . 72.24 112.337 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.453 HD22 ' H ' ' B' ' 4' ' ' LEU . 2.4 mm? -63.8 -13.93 48.54 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.919 0.888 . . . . 73.22 112.18 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -62.72 -42.33 99.6 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.201 1.0 . . . . 74.25 110.859 171.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -62.54 -41.59 98.97 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.096 -0.956 . . . . 71.51 111.06 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -55.06 -55.17 33.97 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.604 -0.725 . . . . 75.03 111.255 172.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.73 -34.42 65.14 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.807 0.843 . . . . 71.2 112.239 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.13 -40.29 42.64 Favored Glycine 0 CA--C 1.541 1.68 0 CA-C-N 115.569 -0.741 . . . . 72.24 113.471 176.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.89 83.82 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.646 0.778 . . . . 32.11 111.793 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.401 HD13 ' O ' ' B' ' 41' ' ' ASP . 70.8 mt -70.5 -38.48 74.34 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.925 0.89 . . . . 54.53 110.465 175.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.01 -42.64 80.68 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.512 0.725 . . . . 64.22 112.685 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.32 -55.76 27.4 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-N 115.707 -0.678 . . . . 71.32 113.664 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -69.4 -36.92 77.23 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 112.737 0.643 . . . . 73.5 112.737 -175.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.528 ' HA ' HG21 ' B' ' 34' ' ' THR . 71.2 mt -64.02 -46.46 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 123.172 0.589 . . . . 72.01 111.162 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -60.84 -46.38 90.78 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 122.809 0.444 . . . . 75.03 111.23 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.65 -27.33 69.15 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.695 0.798 . . . . 71.43 112.413 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.22 -34.01 77.04 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.047 0.539 . . . . 55.42 111.828 174.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.579 HD21 HG23 ' B' ' 66' ' ' VAL . 8.6 mp -89.73 -15.6 32.13 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.555 0.742 . . . . 73.43 111.848 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -64.76 119.37 10.48 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.51 0.324 . . . . 71.24 110.673 -178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.18 -38.09 3.49 Favored Glycine 0 CA--C 1.537 1.457 0 CA-C-N 116.461 -0.336 . . . . 74.21 113.622 -173.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.9 p -84.96 171.43 12.14 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 117.293 0.547 . . . . 55.34 111.827 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -87.74 5.39 40.16 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.526 0.73 . . . . 64.44 111.356 173.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.504 ' HA3' ' HB3' ' B' ' 67' ' ' LYS . . . 124.03 154.72 8.99 Favored Glycine 0 C--N 1.353 1.515 0 C-N-CA 123.126 0.393 . . . . 64.12 113.677 -178.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 96.4 mt -133.83 156.19 48.48 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.82 0.848 . . . . 74.34 110.645 -177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 70.7 p -85.55 159.48 19.88 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.87 0.468 . . . . 64.4 110.273 172.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -53.69 -36.38 62.12 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.923 0.889 . . . . 74.21 112.632 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -57.18 -50.76 71.83 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.916 0.886 . . . . 64.43 112.362 172.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -67.49 -37.58 83.06 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.742 0.817 . . . . 75.02 111.817 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.2 mt -71.77 -45.33 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.603 0.761 . . . . 62.42 111.328 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.654 ' HG3' ' HB2' ' B' ' 36' ' ' LEU . 62.2 tttm -59.42 -44.12 92.94 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.57 0.748 . . . . 63.14 111.691 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -67.25 -44.01 80.48 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 122.86 0.464 . . . . 51.13 111.557 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.37 -49.7 74.49 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.079 0.552 . . . . 64.15 112.177 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.528 HG21 ' HA ' ' B' ' 15' ' ' ILE . 66.9 p -85.72 -9.53 57.02 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.683 0.793 . . . . 60.33 112.3 -178.117 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? 64.57 58.7 1.01 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.425 1.09 . . . . 74.13 111.962 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.654 ' HB2' ' HG3' ' B' ' 31' ' ' LYS . 67.1 mt -84.3 144.23 29.01 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 115.36 -0.836 . . . . 72.13 110.755 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -75.55 -37.87 59.67 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.498 0.719 . . . . 73.21 109.832 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.49 165.46 27.18 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.855 -1.066 . . . . 62.41 110.619 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.59 -23.83 65.43 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.73 0.812 . . . . 64.01 111.58 174.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -54.77 -34.09 62.19 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.046 0.938 . . . . 51.54 112.226 172.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.402 ' HB3' HD22 ' B' ' 36' ' ' LEU . 38.1 m-20 -64.57 -35.55 81.35 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.107 0.563 . . . . 61.23 110.983 176.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -68.52 -43.69 76.25 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.434 -0.348 . . . . 71.52 110.696 177.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -65.64 -43.73 88.55 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.982 0.513 . . . . 75.12 112.175 -175.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.27 -42.34 84.0 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.25 0.62 . . . . 62.52 111.437 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLY . . . . . 0.465 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -64.41 -44.1 95.8 Favored Glycine 0 CA--C 1.538 1.489 0 CA-C-N 116.52 -0.309 . . . . 75.15 113.171 175.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.1 tp -65.07 -32.54 74.31 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 124.154 0.981 . . . . 73.41 111.625 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.32 -31.91 80.41 Favored Glycine 0 N--CA 1.475 1.272 0 CA-C-N 115.863 -0.608 . . . . 75.11 112.567 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' TRP . . . . . 0.46 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 7.9 t-105 -76.72 -32.11 57.6 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 123.284 0.633 . . . . 75.43 110.611 175.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.549 ' HB3' HG22 ' B' ' 55' ' ' VAL . 5.9 mp -66.31 -30.1 70.45 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.086 0.554 . . . . 74.21 111.329 171.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.18 -38.18 75.32 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.779 0.832 . . . . 75.35 112.714 175.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.908 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 16.5 ptm180 -69.06 -28.91 66.95 Favored 'General case' 0 N--CA 1.5 2.032 0 CA-C-N 118.386 0.539 . . . . 72.54 111.764 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -90.8 -18.41 24.95 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.103 0.561 . . . . 72.33 110.622 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 30.1 t70 66.02 25.01 10.99 Favored 'General case' 0 CA--C 1.568 1.659 0 CA-C-O 122.363 1.077 . . . . 73.44 110.939 176.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -78.23 -10.84 59.83 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 115.519 -0.764 . . . . 74.3 112.038 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.549 HG22 ' HB3' ' B' ' 49' ' ' LEU . 33.2 m -133.08 164.36 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 CA-C-O 121.321 0.582 . . . . 52.14 111.612 178.265 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 6.6 p -135.35 143.99 35.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 C-N-CA 124.233 1.013 . . . . 53.0 109.401 174.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 65.6 p -100.58 142.83 31.51 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.369 0.667 . . . . 73.11 110.827 -172.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 59.9 m -142.3 153.86 44.24 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.204 1.002 . . . . 53.31 109.929 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -103.47 104.95 15.09 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.049 0.539 . . . . 74.04 110.044 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 55.2 t -105.24 109.34 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 109.464 -0.569 . . . . 65.02 109.464 170.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 57.48 38.68 28.21 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.152 1.381 . . . . 64.32 112.432 174.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.04 -28.29 8.95 Favored Glycine 0 CA--C 1.544 1.884 0 N-CA-C 114.849 0.7 . . . . 65.24 114.849 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -92.7 169.29 10.61 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 113.596 0.962 . . . . 61.3 113.596 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 63.3 mt -81.2 127.37 39.61 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 CA-C-N 114.86 -1.063 . . . . 71.03 111.788 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -126.74 111.52 14.34 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.227 1.411 . . . . 74.51 107.846 173.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.579 HG23 HD21 ' B' ' 19' ' ' LEU . 31.9 m -112.3 153.47 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-O 120.825 0.345 . . . . 71.53 110.916 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.504 ' HB3' ' HA3' ' B' ' 24' ' ' GLY . 21.4 pttp -150.81 152.16 33.37 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 116.077 -0.51 . . . . 73.03 111.357 -178.128 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.427 HD23 HG12 ' B' ' 55' ' ' VAL . 31.1 mt -69.37 129.45 39.81 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 116.099 -0.5 . . . . 52.45 111.491 -175.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 49.6 t . . . . . 0 CA--C 1.549 0.917 0 N-CA-C 109.257 -0.646 . . . . 63.31 109.257 171.3 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.428 HD13 HG23 ' B' ' 64' ' ' ILE . 8.8 tt . . . . . 0 N--CA 1.488 1.455 0 N-CA-C 111.659 0.244 . . . . 55.34 111.659 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -55.96 -44.26 78.29 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.518 1.127 . . . . 34.52 112.495 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -71.81 -47.64 51.95 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.148 0.579 . . . . 61.44 111.757 -175.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -20.98 60.52 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 116.33 -0.395 . . . . 53.11 111.722 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.83 -38.07 89.27 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.123 0.569 . . . . 73.53 110.772 170.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.5 -35.47 81.53 Favored Glycine 0 CA--C 1.539 1.534 0 CA-C-N 115.791 -0.641 . . . . 73.03 113.8 173.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.05 80.53 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.253 0.621 . . . . 53.2 111.778 175.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 41' ' ' ASP . 75.6 mt -74.75 -32.63 62.14 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.86 0.864 . . . . 61.01 111.152 174.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.516 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -55.17 -41.28 71.66 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.619 0.768 . . . . 25.45 112.909 -178.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.37 -49.09 65.77 Favored Glycine 0 CA--C 1.534 1.249 0 CA-C-N 115.494 -0.776 . . . . 74.22 112.763 172.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -58.93 -53.4 58.84 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.907 0.883 . . . . 73.23 112.531 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.25 -39.29 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 C-N-CA 123.044 0.538 . . . . 75.51 110.551 -177.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -61.62 -43.09 99.52 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.018 0.527 . . . . 72.31 111.561 175.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.63 -23.34 67.03 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.959 0.904 . . . . 72.23 112.386 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.83 -40.71 63.12 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 122.464 0.306 . . . . 71.2 111.29 171.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.438 HD21 HG13 ' A' ' 66' ' ' VAL . 10.8 mp -82.45 -27.75 31.72 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 113.745 1.017 . . . . 71.22 113.745 -174.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -67.59 135.27 52.66 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 118.707 0.685 . . . . 70.31 112.124 -174.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.35 7.11 71.79 Favored Glycine 0 CA--C 1.54 1.625 0 CA-C-N 115.885 -0.598 . . . . 30.13 113.859 -175.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.5 m -122.02 157.61 30.98 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.289 1.036 . . . . 61.22 110.215 -175.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -69.74 -4.8 21.38 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 123.748 0.819 . . . . 73.52 112.366 175.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.43 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 112.1 155.98 13.02 Favored Glycine 0 C--N 1.343 0.926 0 C-N-CA 123.407 0.527 . . . . 73.04 111.808 -171.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.2 mt -130.9 160.01 35.74 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.138 0.494 . . . . 63.24 111.264 -176.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.1 p -86.72 165.45 16.07 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.228 -0.897 . . . . 71.33 110.158 171.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 17.3 pt20 -51.59 -43.74 62.57 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.209 0.604 . . . . 73.31 112.519 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -59.23 -47.7 84.37 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.105 0.962 . . . . 62.23 113.006 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -62.72 -42.01 99.45 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.177 0.591 . . . . 70.01 111.642 -178.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.7 mt -67.23 -38.72 81.54 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-N 115.06 -0.973 . . . . 72.03 111.379 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 27' ' ' GLN . 30.6 mtpp -56.79 -41.54 77.89 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 122.997 0.519 . . . . 62.31 111.818 175.021 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -68.91 -39.76 79.49 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.057 0.543 . . . . 75.02 111.68 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.84 -44.58 66.17 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 121.421 0.629 . . . . 60.24 111.803 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.8 p -82.51 -19.37 38.84 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 124.3 1.04 . . . . 61.01 112.357 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt 65.39 32.61 9.55 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.757 1.223 . . . . 74.44 111.997 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.8 mt -88.52 115.41 26.02 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.954 0.902 . . . . 63.44 110.16 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -70.41 -43.13 70.64 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.158 0.983 . . . . 61.43 110.987 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -95.39 141.92 28.38 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.031 0.532 . . . . 65.0 111.62 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -66.24 -24.55 66.61 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.522 0.729 . . . . 64.21 111.578 173.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.405 ' O ' HD13 ' A' ' 44' ' ' LEU . 47.1 mmtm -58.38 -36.13 73.04 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.876 0.871 . . . . 70.2 112.42 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.404 ' O ' HD13 ' A' ' 11' ' ' LEU . 11.7 m-20 -70.06 -36.91 75.32 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.051 0.54 . . . . 74.33 110.389 174.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -64.64 -41.74 95.94 Favored 'General case' 0 CA--C 1.555 1.165 0 CA-C-N 115.693 -0.685 . . . . 71.21 111.72 176.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -64.31 -37.13 86.41 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.207 0.603 . . . . 74.12 112.123 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 40' ' ' LYS . 9.4 mp -70.44 -47.26 61.54 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.397 0.679 . . . . 74.42 111.358 176.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.427 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -61.97 -55.14 29.87 Favored Glycine 0 C--N 1.352 1.423 0 CA-C-N 116.393 -0.367 . . . . 75.22 113.531 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.654 HD11 HG21 ' A' ' 66' ' ' VAL . 63.7 tp -58.28 -38.48 77.08 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.092 0.957 . . . . 64.44 111.903 175.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.55 -30.94 79.28 Favored Glycine 0 N--CA 1.472 1.089 0 CA-C-N 115.497 -0.774 . . . . 62.35 112.79 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.516 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 30.4 t-105 -77.08 -24.5 51.88 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.336 0.654 . . . . 72.25 111.34 175.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.453 HD23 HG11 ' A' ' 55' ' ' VAL . 6.1 mp -72.78 -36.43 67.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.927 -0.483 . . . . 73.33 110.342 169.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.438 HD23 HG23 ' A' ' 55' ' ' VAL . 98.3 mt -67.41 -38.58 84.85 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 115.576 -0.738 . . . . 54.01 110.396 175.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.66 ' HB2' ' HB3' ' B' ' 51' ' ' ARG . 2.3 ppt_? -66.04 -30.06 70.53 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.326 0.65 . . . . 75.33 111.362 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -96.56 3.87 52.37 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 112.843 0.683 . . . . 75.42 112.843 176.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 64.49 15.64 9.73 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 124.259 1.023 . . . . 71.25 112.331 174.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -80.54 -9.28 59.78 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.462 0.705 . . . . 72.45 112.826 -172.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.526 HG12 HD23 ' A' ' 68' ' ' LEU . 35.8 m -137.29 162.13 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-O 121.456 0.646 . . . . 62.35 112.063 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.5 p -129.98 134.01 63.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 124.249 1.019 . . . . 71.24 110.226 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.4 p -111.27 132.98 53.94 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.785 0.834 . . . . 75.23 111.472 -172.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.7 t -122.88 158.67 29.84 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.288 1.035 . . . . 75.02 110.294 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -99.86 103.61 15.22 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.239 0.616 . . . . 75.43 109.441 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.3 t -108.42 107.35 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-O 121.13 0.49 . . . . 72.22 110.298 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 49.28 31.14 3.52 Favored 'General case' 0 CA--C 1.561 1.365 0 C-N-CA 126.058 1.743 . . . . 52.23 114.607 173.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.64 5.03 57.89 Favored Glycine 0 CA--C 1.539 1.541 0 N-CA-C 115.689 1.036 . . . . 62.42 115.689 176.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -126.3 161.28 28.15 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 118.743 1.272 . . . . 72.43 111.559 174.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 55.9 mt -77.64 113.21 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-N 115.674 -0.694 . . . . 71.2 111.344 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -106.58 132.15 52.92 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.562 -0.903 . . . . 74.33 108.562 167.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.654 HG21 HD11 ' A' ' 46' ' ' LEU . 8.0 p -139.83 150.48 22.05 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 C-N-CA 122.572 0.349 . . . . 72.0 111.627 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.43 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 20.6 ptmt -147.96 157.46 43.53 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.323 0.649 . . . . 71.12 111.113 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.526 HD23 HG12 ' A' ' 55' ' ' VAL . 60.1 mt -67.05 137.16 56.21 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.588 0.355 . . . . 74.35 111.648 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.7 t . . . . . 0 CA--C 1.549 0.935 0 N-CA-C 108.753 -0.832 . . . . 63.25 108.753 165.984 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' MET . . . . . 0.454 ' HB2' ' HB2' ' B' ' 6' ' ' GLU . 33.7 mmt . . . . . 0 CA--C 1.548 0.871 0 N-CA-C 110.329 -0.249 . . . . 74.43 110.329 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 mp -66.09 -20.37 66.14 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 121.319 0.58 . . . . 63.24 110.594 175.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -75.48 -35.18 60.89 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 123.969 0.908 . . . . 73.54 111.182 172.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.454 ' HB2' ' HB2' ' B' ' 3' ' ' MET . 11.1 tp10 -75.0 -47.25 30.1 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 122.799 0.44 . . . . 75.03 111.615 -175.008 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -34.96 64.4 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.421 0.688 . . . . 74.31 111.408 175.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.86 -32.5 71.92 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.273 1.029 . . . . 61.2 111.64 -176.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.99 -40.16 44.18 Favored Glycine 0 CA--C 1.535 1.339 0 CA-C-N 115.041 -0.982 . . . . 62.52 113.888 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.11 -47.49 74.01 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.007 0.523 . . . . 72.2 111.474 175.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.89 -30.63 71.68 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.875 0.87 . . . . 73.32 111.514 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.486 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -58.25 -45.78 87.17 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.093 0.557 . . . . 73.23 112.027 175.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.19 -42.71 98.74 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.645 -0.707 . . . . 60.32 113.368 176.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -72.89 -37.55 67.24 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.618 0.767 . . . . 64.32 112.026 -176.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 68.4 mt -69.91 -47.08 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 C-N-CA 123.574 0.75 . . . . 74.42 111.389 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -66.01 -47.46 74.39 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 123.085 0.554 . . . . 75.21 111.178 -178.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -62.38 -30.02 70.9 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 112.523 0.564 . . . . 61.12 112.523 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.43 -30.15 71.19 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.871 0.468 . . . . 53.32 111.569 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.52 HD21 HG12 ' B' ' 30' ' ' ILE . 80.0 mt -93.44 -14.71 26.41 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 123.861 0.864 . . . . 72.11 112.536 178.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -65.12 120.59 12.96 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 122.707 0.403 . . . . 61.33 110.586 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.81 -33.52 6.5 Favored Glycine 0 CA--C 1.536 1.359 0 CA-C-N 115.693 -0.685 . . . . 61.31 113.142 -175.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 12.1 p -83.05 173.0 12.13 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.341 0.656 . . . . 65.11 111.443 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -81.51 1.32 34.0 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.981 0.512 . . . . 70.31 112.324 175.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.65 139.86 11.07 Favored Glycine 0 C--N 1.349 1.288 0 C-N-CA 123.028 0.346 . . . . 62.51 112.408 -173.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.483 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 83.8 mt -127.91 166.04 19.06 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 122.996 0.518 . . . . 71.23 111.702 -173.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' B' ' 65' ' ' PHE . 82.2 p -81.76 169.17 17.25 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 122.896 0.478 . . . . 73.0 111.078 178.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLN . . . . . 0.432 ' HB3' ' HB ' ' B' ' 64' ' ' ILE . 4.7 pt20 -53.52 -38.82 64.12 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.383 0.673 . . . . 74.43 112.494 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -61.48 -45.02 96.0 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.797 0.839 . . . . 72.34 111.509 178.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLN . . . . . 0.483 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 18.8 mm-40 -74.25 -28.23 61.12 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.613 0.765 . . . . 71.34 112.596 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.52 HG12 HD21 ' B' ' 19' ' ' LEU . 89.3 mt -72.48 -47.59 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 122.981 0.512 . . . . 65.31 110.558 175.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -59.99 -25.71 65.47 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.117 0.967 . . . . 72.53 111.808 173.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -68.7 -56.45 8.11 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 123.546 0.738 . . . . 71.31 110.798 172.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.06 -35.83 78.86 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 113.177 0.806 . . . . 53.1 113.177 -173.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 65.0 p -93.21 -13.0 28.89 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.71 0.804 . . . . 73.41 112.097 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm 67.88 19.2 9.55 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 125.048 1.339 . . . . 62.24 111.856 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -76.77 82.15 3.37 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.124 0.57 . . . . 74.33 110.447 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -67.22 -19.72 65.58 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.495 0.718 . . . . 74.41 112.408 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.59 135.4 33.51 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 109.781 -0.452 . . . . 60.12 109.781 172.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -64.18 -35.16 79.87 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.352 1.061 . . . . 72.21 111.621 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -57.38 -46.79 83.05 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.054 1.341 . . . . 71.12 113.107 -175.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.12 -32.74 74.42 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.647 0.779 . . . . 72.31 111.409 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -65.26 -48.21 74.03 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 116.027 -0.533 . . . . 61.23 111.259 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -63.37 -41.4 98.81 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 122.919 0.488 . . . . 72.53 112.219 -174.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -69.1 -44.56 72.21 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.166 0.586 . . . . 53.52 111.445 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLY . . . . . 0.443 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -61.73 -46.02 95.06 Favored Glycine 0 N--CA 1.479 1.538 0 O-C-N 123.098 0.249 . . . . 72.54 112.903 175.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.04 -37.33 84.54 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.243 1.017 . . . . 73.43 111.814 177.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.24 -31.1 77.94 Favored Glycine 0 N--CA 1.474 1.194 0 CA-C-N 115.958 -0.565 . . . . 51.34 112.783 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' TRP . . . . . 0.486 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 8.8 t-105 -77.21 -30.59 54.77 Favored 'General case' 0 CA--C 1.561 1.369 0 C-N-CA 123.538 0.735 . . . . 74.12 111.153 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.678 HD23 HG11 ' B' ' 55' ' ' VAL . 5.2 mp -62.44 -30.78 71.48 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.022 0.439 . . . . 74.32 110.953 171.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 37.6 mt -70.45 -34.98 73.07 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-N 115.498 -0.774 . . . . 74.33 112.368 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.66 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 8.3 ptp180 -62.61 -35.6 80.08 Favored 'General case' 0 N--CA 1.504 2.258 0 N-CA-C 113.16 0.8 . . . . 60.23 113.16 -178.153 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.65 ' HG3' ' HG3' ' B' ' 51' ' ' ARG . 46.7 mt-10 -94.61 -8.34 38.33 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.812 0.445 . . . . 73.33 111.188 -177.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 63.94 28.26 14.47 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.229 1.012 . . . . 65.3 110.617 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.43 ' HD2' ' HB2' ' B' ' 52' ' ' GLU . 15.6 ptmt -84.99 -3.24 58.7 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.897 0.879 . . . . 74.33 112.066 -171.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.678 HG11 HD23 ' B' ' 49' ' ' LEU . 34.4 m -133.35 158.41 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 C-N-CA 123.411 0.684 . . . . 51.12 112.544 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 79.6 t -110.37 124.24 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.984 0.914 . . . . 64.44 109.407 167.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 76.0 p -104.27 133.36 49.32 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.891 0.476 . . . . 64.2 109.995 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 77.4 p -141.31 161.94 36.68 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.303 0.641 . . . . 75.32 110.401 -177.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -105.62 106.86 17.56 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.049 0.94 . . . . 75.2 110.009 -174.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 79.4 t -118.14 106.99 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 CA-C-O 120.843 0.354 . . . . 54.24 110.177 175.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 50.38 38.69 18.65 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 125.52 1.528 . . . . 72.33 113.174 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.72 -22.31 39.91 Favored Glycine 0 CA--C 1.543 1.787 0 CA-C-N 115.649 -0.705 . . . . 45.33 114.276 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -83.38 142.94 30.65 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.694 0.759 . . . . 75.13 112.914 -178.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.432 ' HB ' ' HB3' ' B' ' 27' ' ' GLN . 67.3 mt -74.71 97.3 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 CA-C-N 114.453 -1.248 . . . . 54.43 110.309 173.149 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' PHE . . . . . 0.458 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 17.0 t80 -90.88 106.43 18.51 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.571 0.748 . . . . 75.02 110.34 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 39.9 t -106.46 117.21 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.462 0.705 . . . . 64.14 111.121 -174.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -109.0 165.19 11.77 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.837 0.855 . . . . 62.24 109.473 174.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 25.1 mt -99.62 140.09 34.32 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-N 118.393 0.542 . . . . 74.21 110.918 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 98.2 t . . . . . 0 CA--C 1.553 1.074 0 CA-C-O 121.426 0.632 . . . . 74.31 109.616 171.001 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.52 HD12 ' HD3' ' A' ' 7' ' ' LYS . 34.7 tp . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.083 0.468 . . . . 64.31 111.797 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -65.99 -40.49 91.21 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 124.128 0.971 . . . . 74.54 112.275 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.16 -51.71 68.42 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.478 0.711 . . . . 64.33 111.683 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.52 ' HD3' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -66.32 -42.61 87.99 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.841 -0.618 . . . . 62.45 111.313 177.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 7' ' ' LYS . . . -63.57 -32.48 73.96 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.52 0.728 . . . . 64.12 111.429 -176.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.89 -33.08 58.12 Favored Glycine 0 CA--C 1.536 1.405 0 CA-C-N 114.995 -1.002 . . . . 65.53 113.386 176.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.71 -39.42 64.35 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.348 0.659 . . . . 72.31 111.123 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 91.3 mt -65.38 -36.34 83.68 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.78 0.832 . . . . 72.32 110.287 173.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.97 -45.24 87.05 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.705 0.802 . . . . 74.1 111.93 174.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.43 -40.41 97.58 Favored Glycine 0 CA--C 1.54 1.604 0 CA-C-N 115.73 -0.668 . . . . 53.01 113.549 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -69.57 -46.11 67.12 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.736 0.814 . . . . 74.12 111.942 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.667 HG23 HG21 ' A' ' 30' ' ' ILE . 68.1 mt -68.03 -38.43 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 123.969 0.908 . . . . 52.41 111.645 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -64.14 -46.08 85.66 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 122.791 0.436 . . . . 75.15 110.893 173.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -63.2 -26.27 68.72 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 112.63 0.604 . . . . 74.13 112.63 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.01 84.84 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 121.093 0.473 . . . . 54.54 110.584 171.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.48 -22.02 57.57 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.182 0.993 . . . . 44.24 112.24 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -76.76 126.66 31.36 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.185 0.594 . . . . 60.44 109.649 -178.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.28 -4.06 66.91 Favored Glycine 0 CA--C 1.538 1.472 0 CA-C-N 116.217 -0.447 . . . . 51.34 112.945 -170.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.3 p -126.67 168.63 14.09 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.93 0.892 . . . . 71.34 110.281 174.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -100.59 7.81 43.79 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.111 0.565 . . . . 73.22 111.81 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.71 136.05 2.72 Favored Glycine 0 C--N 1.35 1.342 0 N-CA-C 113.885 0.314 . . . . 62.3 113.885 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.483 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 84.2 mt -132.18 160.24 36.67 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.598 1.159 . . . . 60.02 110.268 177.053 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.3 p -88.59 -178.0 5.71 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.339 0.655 . . . . 72.11 111.161 171.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -56.11 -48.19 76.64 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.698 0.399 . . . . 62.13 111.891 176.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -49.99 75.57 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.576 0.75 . . . . 71.35 111.987 -178.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.483 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 51.4 mt-30 -61.46 -35.33 77.31 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.613 0.765 . . . . 64.02 112.332 -174.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.667 HG21 HG23 ' A' ' 15' ' ' ILE . 76.5 mt -74.81 -49.8 28.02 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 C-N-CA 123.154 0.582 . . . . 73.43 111.345 173.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -56.74 -27.19 58.85 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 124.817 1.247 . . . . 75.4 111.873 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -67.92 -52.72 32.93 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.51 1.124 . . . . 70.54 111.524 172.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.16 -40.17 82.4 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.484 0.714 . . . . 53.31 112.181 -176.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.7 p -84.28 -26.36 28.63 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.446 1.098 . . . . 61.14 112.143 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt 59.83 37.73 21.7 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 124.662 1.185 . . . . 74.13 112.172 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.539 ' HB3' ' HB2' ' A' ' 41' ' ' ASP . 94.1 mt -68.36 124.02 22.37 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.539 -0.755 . . . . 64.33 109.994 174.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -55.05 -34.99 64.01 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.091 0.956 . . . . 73.52 113.303 -170.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.95 174.21 10.87 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.746 0.818 . . . . 64.12 111.341 -176.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.51 -33.07 75.03 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 114.796 -1.093 . . . . 65.44 111.272 170.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -55.13 -43.34 74.03 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.873 1.269 . . . . 70.4 112.538 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.539 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 2.9 m-20 -62.32 -38.46 89.53 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 124.235 1.014 . . . . 65.11 110.449 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -65.68 -39.98 91.88 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 114.801 -1.09 . . . . 75.34 112.267 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.474 ' CE2' ' HD2' ' B' ' 40' ' ' LYS . 43.7 m-85 -66.56 -33.29 75.35 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 112.551 0.575 . . . . 72.0 112.551 -178.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.9 mp -66.91 -39.38 87.38 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.229 0.612 . . . . 64.22 111.44 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.651 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -76.15 -53.32 5.74 Favored Glycine 0 CA--C 1.537 1.435 0 CA-C-N 116.325 -0.398 . . . . 62.33 113.345 177.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.34 -36.34 77.75 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 123.85 0.86 . . . . 72.1 112.053 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.36 -30.57 78.21 Favored Glycine 0 N--CA 1.477 1.375 0 CA-C-N 115.258 -0.883 . . . . 64.44 112.066 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.643 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 7.3 t-105 -71.21 -44.4 65.46 Favored 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 123.316 0.646 . . . . 72.21 110.504 172.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.511 HD23 HG11 ' A' ' 55' ' ' VAL . 6.2 mp -58.06 -29.5 65.45 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.247 0.619 . . . . 63.22 111.957 177.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.2 mt -71.02 -43.75 67.28 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.297 0.639 . . . . 71.23 112.649 171.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.643 ' HE ' ' HA ' ' A' ' 48' ' ' TRP . 12.9 ptp180 -59.78 -29.03 67.92 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 113.58 0.955 . . . . 71.33 113.58 -170.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -99.78 -6.8 26.37 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.847 0.859 . . . . 73.25 112.853 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 61.23 46.43 7.95 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.832 0.853 . . . . 61.33 109.945 -168.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -93.58 -15.67 25.17 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 114.886 -1.052 . . . . 72.3 111.053 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.511 HG11 HD23 ' A' ' 49' ' ' LEU . 35.3 m -137.22 165.74 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 C-N-CA 123.772 0.829 . . . . 75.42 112.067 173.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.1 t -112.22 124.91 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 124.079 0.952 . . . . 73.02 109.212 169.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.5 p -112.58 133.81 54.43 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.294 0.638 . . . . 73.24 110.394 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 64.2 m -135.05 154.62 51.64 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.501 1.121 . . . . 53.13 110.187 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -97.84 107.1 19.52 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.41 0.684 . . . . 64.33 109.375 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 64.8 t -115.35 108.77 26.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.644 0.778 . . . . 53.31 109.861 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 54.03 32.51 15.7 Favored 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 124.796 1.239 . . . . 71.14 113.174 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.11 -25.64 23.04 Favored Glycine 0 CA--C 1.543 1.786 0 CA-C-N 116.197 -0.456 . . . . 74.14 114.196 -176.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -77.04 142.91 39.65 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.299 1.04 . . . . 65.21 111.715 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.9 mt -80.04 101.03 4.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 N-CA-C 109.257 -0.646 . . . . 62.44 109.257 169.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -88.76 142.64 27.5 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.329 0.652 . . . . 71.41 109.513 171.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.0 p -139.73 146.57 25.03 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 C-N-CA 123.131 0.573 . . . . 75.22 111.125 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -139.71 178.5 7.19 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.779 0.831 . . . . 44.45 109.637 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.1 mt -90.58 168.79 11.54 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 122.449 1.118 . . . . 71.33 113.903 -176.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.48 1.06 0 CA-C-N 113.637 -1.62 . . . . 73.24 110.846 175.371 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 12.6 tpt . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 112.347 0.499 . . . . 62.23 112.347 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 mp -65.66 -20.47 66.31 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 123.294 0.638 . . . . 72.53 111.592 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.427 ' HE2' ' HH2' ' B' ' 48' ' ' TRP . 20.5 tptm -62.17 -55.96 23.52 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.948 0.899 . . . . 73.44 111.704 167.267 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -78.9 -35.42 43.58 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 112.906 0.706 . . . . 73.31 112.906 -168.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -31.6 71.08 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 117.727 0.239 . . . . 72.0 111.245 178.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.92 80.57 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.27 0.628 . . . . 64.11 111.579 173.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.09 -32.09 63.49 Favored Glycine 0 CA--C 1.543 1.804 0 CA-C-N 115.808 -0.633 . . . . 73.14 114.322 175.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.82 -41.81 67.74 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.197 0.599 . . . . 61.13 111.219 176.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.6 mt -62.33 -39.87 94.51 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.309 1.044 . . . . 72.03 110.571 172.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -58.62 -38.73 78.64 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.137 0.975 . . . . 50.23 112.283 176.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.98 -44.0 98.73 Favored Glycine 0 CA--C 1.536 1.388 0 CA-C-N 115.788 -0.642 . . . . 73.2 113.01 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -62.69 -47.28 84.31 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.437 0.695 . . . . 74.44 111.515 177.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.472 HD11 ' HA ' ' B' ' 42' ' ' PHE . 74.2 mt -67.81 -36.06 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 123.788 0.835 . . . . 73.11 111.619 -177.24 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -63.75 -49.02 74.66 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.725 0.41 . . . . 74.32 110.106 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.94 -33.45 71.92 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.965 0.506 . . . . 61.01 111.711 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.0 93.01 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.822 0.849 . . . . 33.43 112.239 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.506 HD21 HG13 ' B' ' 66' ' ' VAL . 9.9 mp -86.52 -13.99 44.32 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.612 0.765 . . . . 63.15 111.856 177.129 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -73.11 129.79 38.86 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.331 0.652 . . . . 71.32 111.095 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.75 1.77 90.59 Favored Glycine 0 CA--C 1.543 1.793 0 N-CA-C 114.359 0.504 . . . . 72.14 114.359 -178.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.3 p -124.15 169.39 11.76 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.776 0.83 . . . . 72.04 110.333 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -9.57 59.31 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.252 1.021 . . . . 73.03 113.244 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.535 ' HA3' ' HG2' ' B' ' 67' ' ' LYS . . . 122.51 143.23 6.4 Favored Glycine 0 N--CA 1.484 1.855 0 CA-C-N 117.83 0.287 . . . . 51.21 113.032 -179.363 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mp -127.33 162.73 25.58 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.176 0.59 . . . . 71.4 111.9 -172.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 70.1 p -87.85 162.92 16.68 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.571 0.749 . . . . 70.4 110.248 169.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -51.25 -44.86 61.86 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 114.592 1.331 . . . . 74.05 114.592 -169.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -65.91 -39.49 90.61 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 123.149 0.579 . . . . 63.42 112.175 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -66.64 -32.67 74.14 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.697 0.799 . . . . 72.33 111.393 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.401 HG21 HG23 ' B' ' 15' ' ' ILE . 64.1 mt -70.57 -44.69 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.28 0.632 . . . . 71.24 110.464 174.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -60.44 -26.05 66.45 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.725 0.81 . . . . 62.1 111.976 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -66.2 -55.12 17.8 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.515 0.726 . . . . 62.34 111.572 170.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.92 -39.14 87.27 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.22 0.608 . . . . 72.43 112.175 -176.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 72.1 p -78.69 -21.14 48.63 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.222 1.009 . . . . 75.35 111.795 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp 64.9 27.87 12.75 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 124.866 1.266 . . . . 61.21 111.59 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 83.1 mt -83.85 125.87 32.4 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.79 0.836 . . . . 75.2 110.377 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -78.41 -49.01 14.27 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.282 0.633 . . . . 74.22 110.653 176.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.48 129.48 35.77 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.174 0.59 . . . . 72.13 111.797 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.13 -27.22 68.58 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.704 0.802 . . . . 61.13 111.606 172.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.474 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 26.0 mmtp -70.55 -40.51 73.34 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.737 0.815 . . . . 63.3 111.568 -171.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.32 -33.37 75.67 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 123.125 0.57 . . . . 51.22 111.134 172.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 0.472 ' HA ' HD11 ' B' ' 15' ' ' ILE . 39.0 t80 -64.54 -41.04 96.61 Favored 'General case' 0 CA--C 1.563 1.463 0 C-N-CA 122.901 0.48 . . . . 72.44 111.478 171.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -68.61 -39.31 80.91 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 111.923 0.342 . . . . 73.31 111.923 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.25 -40.89 90.49 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.346 0.658 . . . . 74.31 111.105 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLY . . . . . 0.426 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -67.35 -48.75 56.4 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 116.288 -0.415 . . . . 52.14 113.437 176.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.55 -31.53 72.79 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.802 0.841 . . . . 73.33 111.459 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.06 -31.34 79.08 Favored Glycine 0 N--CA 1.475 1.235 0 CA-C-N 115.409 -0.814 . . . . 55.34 112.388 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' TRP . . . . . 0.438 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 31.2 t-105 -74.54 -32.12 62.34 Favored 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 123.58 0.752 . . . . 65.4 111.157 175.175 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.606 HD23 HG11 ' B' ' 55' ' ' VAL . 6.4 mp -63.94 -31.69 72.96 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.091 0.557 . . . . 75.45 111.202 171.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.11 -41.48 81.69 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.557 0.743 . . . . 52.31 112.424 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.469 ' HD3' ' HG3' ' B' ' 52' ' ' GLU . 0.0 OUTLIER -71.97 -16.23 62.08 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 113.086 0.772 . . . . 70.23 113.086 -177.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.469 ' HG3' ' HD3' ' B' ' 51' ' ' ARG . 42.6 mt-10 -102.64 -16.29 16.1 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.968 0.507 . . . . 73.14 111.732 172.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 61.01 35.26 19.01 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.104 0.961 . . . . 73.11 112.144 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -82.57 -2.13 52.8 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 116.158 -0.474 . . . . 64.31 110.746 176.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.606 HG11 HD23 ' B' ' 49' ' ' LEU . 29.4 m -135.03 159.53 41.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 N-CA-C 113.132 0.79 . . . . 42.44 113.132 178.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.641 HG23 ' HA ' ' B' ' 69' ' ' VAL . 73.3 t -113.47 123.27 68.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 114.672 -1.149 . . . . 60.41 108.386 163.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 36.1 p -106.82 144.87 32.85 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.894 0.878 . . . . 60.3 111.298 -176.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 96.9 p -152.12 172.62 16.06 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.277 1.031 . . . . 55.33 109.866 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -119.88 113.66 20.9 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 109.529 -0.545 . . . . 74.12 109.529 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.0 t -123.0 119.7 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.37 1.068 . . . . 70.31 110.167 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 50.22 35.25 10.03 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 125.576 1.55 . . . . 64.14 113.997 176.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.28 4.7 70.87 Favored Glycine 0 CA--C 1.543 1.797 0 N-CA-C 115.078 0.791 . . . . 71.43 115.078 176.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -119.79 159.32 24.79 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.742 0.817 . . . . 71.43 111.579 174.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 57.4 mt -79.54 107.63 12.18 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 CA-C-N 116.049 -0.523 . . . . 74.14 109.843 172.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -99.05 125.6 44.58 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.293 0.637 . . . . 75.42 109.679 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.506 HG13 HD21 ' B' ' 19' ' ' LEU . 4.0 p -139.71 144.79 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.411 0 N-CA-C 112.34 0.496 . . . . 65.13 112.34 -174.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.535 ' HG2' ' HA3' ' B' ' 24' ' ' GLY . 51.5 mtmt -128.62 161.01 30.64 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 124.38 1.072 . . . . 73.1 109.819 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.442 HD23 HG12 ' B' ' 55' ' ' VAL . 72.0 mt -80.17 65.95 5.5 Favored 'General case' 0 N--CA 1.5 2.039 0 CA-C-N 119.151 0.887 . . . . 61.33 111.38 175.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.641 ' HA ' HG23 ' B' ' 56' ' ' VAL . 11.1 t . . . . . 0 N--CA 1.503 2.223 0 C-N-CA 124.879 1.272 . . . . 74.14 111.989 -174.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 111.975 0.361 . . . . 72.31 111.975 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -68.44 -36.96 79.78 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.437 0.695 . . . . 71.34 111.299 173.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -71.94 -49.45 37.42 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.483 0.313 . . . . 71.14 111.626 -174.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -63.66 -25.23 68.12 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 111.74 0.274 . . . . 61.33 111.74 179.227 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.85 95.03 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.046 0.538 . . . . 71.45 110.718 171.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.04 -35.24 64.6 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 115.186 -0.915 . . . . 75.04 113.697 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.19 -43.51 97.99 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.336 0.655 . . . . 73.42 112.043 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 75.5 mt -77.19 -18.81 57.47 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.476 0.71 . . . . 73.1 111.953 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.39 -53.27 60.08 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.218 0.607 . . . . 61.4 112.539 177.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.34 -42.03 81.69 Favored Glycine 0 CA--C 1.54 1.629 0 N-CA-C 115.081 0.792 . . . . 33.23 115.081 -178.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -74.48 -36.03 63.27 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 122.855 0.462 . . . . 73.21 112.191 -177.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.537 HG23 HG21 ' A' ' 30' ' ' ILE . 68.8 mt -67.9 -41.88 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 C-N-CA 122.79 0.436 . . . . 75.32 110.303 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.47 ' CD1' ' HE2' ' A' ' 54' ' ' LYS . 80.9 t90 -57.22 -47.27 81.75 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.444 0.698 . . . . 73.21 110.856 175.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -64.88 -30.27 71.26 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.94 0.896 . . . . 65.13 113.093 177.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.82 -37.73 87.02 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-O 121.108 0.48 . . . . 75.4 110.885 174.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.515 ' HA ' HD13 ' A' ' 25' ' ' LEU . 8.4 mp -81.24 -25.77 36.38 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.992 0.917 . . . . 72.33 112.178 177.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -69.16 135.71 51.06 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 112.27 0.471 . . . . 71.32 112.27 -174.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.11 5.68 89.94 Favored Glycine 0 CA--C 1.538 1.517 0 CA-C-N 115.626 -0.715 . . . . 73.52 113.717 -175.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.3 m -124.94 160.68 28.33 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.993 0.917 . . . . 71.2 109.943 -177.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -86.08 -0.03 54.61 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.273 0.629 . . . . 74.41 112.377 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.39 139.2 4.16 Favored Glycine 0 C--N 1.353 1.487 0 N-CA-C 113.919 0.328 . . . . 71.02 113.919 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.515 HD13 ' HA ' ' A' ' 19' ' ' LEU . 5.4 mp -122.99 154.43 38.45 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.689 0.795 . . . . 73.44 110.105 178.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.8 p -91.06 163.19 14.39 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 109.565 -0.532 . . . . 74.24 109.565 167.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -54.4 -30.02 50.83 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.946 0.899 . . . . 55.22 113.383 -176.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -41.66 99.11 Favored 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 123.771 0.829 . . . . 55.14 112.275 175.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -76.94 -38.87 52.52 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.7 0.8 . . . . 70.52 112.744 -176.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.537 HG21 HG23 ' A' ' 15' ' ' ILE . 51.4 mt -62.55 -45.07 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 C-N-CA 123.378 0.671 . . . . 53.31 112.462 -173.112 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -65.07 -25.28 67.74 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.11 0.564 . . . . 72.35 112.358 -177.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -65.13 -49.75 68.73 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.527 0.731 . . . . 61.03 110.763 170.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.48 -33.05 70.81 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 115.457 -0.792 . . . . 62.12 112.568 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.2 p -94.11 -22.31 18.56 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.807 0.843 . . . . 75.42 112.67 -177.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt 69.16 23.04 6.54 Favored 'General case' 0 CA--C 1.571 1.776 0 C-N-CA 124.929 1.292 . . . . 65.2 112.31 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.4 mt -64.72 -38.97 92.8 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 112.638 0.607 . . . . 64.01 112.638 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm 70.51 -64.07 0.38 Allowed 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.961 1.304 . . . . 74.32 112.184 -175.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.422 ' HB1' ' HD3' ' A' ' 40' ' ' LYS . . . -70.83 133.12 46.23 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.396 0.678 . . . . 74.24 111.669 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -65.38 -29.3 69.99 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.141 0.576 . . . . 74.21 110.726 168.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.557 ' H ' ' HD2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -56.55 -56.34 22.48 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 124.89 1.276 . . . . 63.02 111.807 -176.801 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.22 -29.03 67.77 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.727 0.811 . . . . 73.34 110.888 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -64.4 -38.71 91.97 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-N 115.251 -0.886 . . . . 64.45 111.734 177.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -67.53 -34.27 76.74 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 122.792 0.437 . . . . 65.14 112.123 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -70.49 -43.28 70.04 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.804 0.442 . . . . 74.33 111.04 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.417 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -66.92 -53.13 28.64 Favored Glycine 0 CA--C 1.539 1.577 0 CA-C-N 116.56 -0.291 . . . . 63.41 113.315 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.701 HD11 HG21 ' A' ' 66' ' ' VAL . 54.9 tp -65.8 -32.02 73.31 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.964 0.906 . . . . 74.32 111.629 178.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.43 -31.62 79.36 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-N 115.62 -0.718 . . . . 74.52 111.954 174.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -74.98 -25.7 59.03 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.007 0.523 . . . . 72.1 111.357 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.595 HD23 HG11 ' A' ' 55' ' ' VAL . 6.0 mp -64.87 -29.61 70.57 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 122.764 0.426 . . . . 73.5 111.462 169.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.8 mt -75.57 -34.08 60.66 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.286 0.634 . . . . 70.42 111.179 170.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.55 ' HD3' ' HA ' ' B' ' 51' ' ' ARG . 21.9 tpt180 -56.97 -42.09 79.54 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.516 0.727 . . . . 72.12 110.76 167.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.438 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 50.7 mt-10 -83.84 -19.65 34.54 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.059 0.543 . . . . 75.34 111.463 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 66.17 15.28 10.03 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 125.52 1.528 . . . . 54.53 111.847 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HE2' ' CD1' ' A' ' 16' ' ' TRP . 40.9 mtpt -80.83 3.48 22.39 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.186 0.994 . . . . 74.21 112.914 -176.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.595 HG11 HD23 ' A' ' 49' ' ' LEU . 23.8 m -130.22 150.6 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 114.331 1.234 . . . . 52.03 114.331 177.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 t -100.69 124.86 54.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.147 0 C-N-CA 125.068 1.347 . . . . 64.32 109.396 166.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.9 p -106.4 146.3 30.65 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 123.302 0.641 . . . . 71.25 111.866 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -157.18 171.6 20.14 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 124.768 1.227 . . . . 44.21 110.063 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -118.12 122.48 43.19 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.114 0.566 . . . . 74.43 109.991 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 37.5 t -120.45 113.69 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 123.801 0.84 . . . . 62.12 109.96 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 53.43 41.21 32.14 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.528 1.531 . . . . 75.25 113.607 172.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.64 -0.12 84.6 Favored Glycine 0 CA--C 1.536 1.345 0 CA-C-N 115.484 -0.78 . . . . 72.04 115.0 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -117.57 155.4 29.87 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 117.693 0.747 . . . . 73.51 110.883 177.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.7 mt -75.72 109.36 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 123.609 0.764 . . . . 73.31 110.4 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -97.48 121.59 39.55 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.488 0.715 . . . . 74.33 109.449 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.701 HG21 HD11 ' A' ' 46' ' ' LEU . 7.3 p -137.31 144.41 31.82 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-O 121.437 0.637 . . . . 63.0 111.443 -177.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -140.3 176.9 8.39 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.915 0.886 . . . . 72.32 109.365 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.442 HD23 HG12 ' A' ' 55' ' ' VAL . 46.0 mt -85.77 156.93 20.4 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-O 121.325 0.583 . . . . 73.13 111.882 178.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 CA--C 1.554 1.126 0 N-CA-C 108.556 -0.905 . . . . 73.42 108.556 168.979 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' MET . . . . . 0.709 ' HB3' ' HG2' ' B' ' 6' ' ' GLU . 13.5 tpt . . . . . 0 CA--C 1.547 0.858 0 N-CA-C 109.19 -0.67 . . . . 61.23 109.19 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.91 -17.44 56.71 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.178 0.591 . . . . 72.24 111.641 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -62.92 -48.2 79.95 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 124.039 0.936 . . . . 72.21 110.98 170.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.709 ' HG2' ' HB3' ' B' ' 3' ' ' MET . 11.9 mm-40 -69.99 -40.27 75.41 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.187 0.595 . . . . 61.43 110.675 -178.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -57.09 -49.96 74.24 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.163 0.985 . . . . 74.35 111.661 175.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.1 -37.23 66.58 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 115.067 -0.97 . . . . 44.31 111.212 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.15 -34.44 69.91 Favored Glycine 0 CA--C 1.538 1.506 0 CA-C-N 115.681 -0.691 . . . . 74.42 114.302 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.84 -47.27 72.5 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.387 0.675 . . . . 74.52 111.774 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 68.6 mt -67.74 -34.57 77.09 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.7 0.8 . . . . 73.1 111.202 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.439 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -58.49 -46.83 85.88 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.436 1.094 . . . . 30.14 113.411 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.64 -35.28 51.67 Favored Glycine 0 C--N 1.35 1.356 0 O-C-N 123.802 0.689 . . . . 64.12 113.578 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -70.3 -51.07 33.05 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.782 0.833 . . . . 74.52 111.343 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 62.1 mt -63.48 -40.39 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 123.727 0.811 . . . . 75.54 112.219 -174.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -58.9 -50.06 75.46 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.292 0.637 . . . . 71.55 110.552 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.11 -25.89 67.97 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.474 0.71 . . . . 75.21 112.472 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.95 -43.96 81.8 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.241 0.616 . . . . 62.15 111.077 172.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 80.2 mt -74.93 -20.76 59.56 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.604 0.762 . . . . 73.45 111.783 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -68.93 127.29 32.59 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.988 0.915 . . . . 72.43 110.811 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.14 3.72 84.76 Favored Glycine 0 CA--C 1.537 1.456 0 N-CA-C 114.028 0.371 . . . . 41.11 114.028 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 19.5 m -128.33 161.81 28.55 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.68 0.792 . . . . 53.32 110.461 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -79.52 23.09 0.42 Allowed 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 124.289 1.035 . . . . 63.41 112.266 176.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.34 150.31 23.71 Favored Glycine 0 C--N 1.348 1.198 0 C-N-CA 123.204 0.43 . . . . 55.5 112.604 -173.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.7 mt -123.3 155.18 37.75 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.537 0.735 . . . . 71.53 110.379 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 63.9 p -83.76 167.14 17.41 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.36 0.664 . . . . 74.23 109.633 170.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -57.55 -30.34 65.13 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 122.828 0.451 . . . . 71.45 111.662 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -61.14 -52.87 63.06 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.338 1.055 . . . . 62.42 111.816 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -70.47 -38.76 74.48 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.104 0.961 . . . . 73.02 112.323 -175.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 91.8 mt -61.08 -45.48 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 123.44 0.696 . . . . 73.44 110.911 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -55.89 -41.7 74.87 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 123.508 0.505 . . . . 74.15 112.353 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -70.98 -49.63 43.23 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 112.344 0.498 . . . . 70.34 112.344 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.12 -27.39 68.9 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.486 0.714 . . . . 71.45 112.697 -177.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 72.7 p -103.71 -20.07 14.09 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.975 0.91 . . . . 61.1 112.631 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 66.49 29.07 9.31 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.815 1.246 . . . . 71.44 112.289 -173.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt -75.32 127.72 33.79 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.866 0.467 . . . . 73.33 109.859 172.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -80.58 -27.78 37.34 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 113.344 0.868 . . . . 72.31 113.344 -169.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.96 158.13 43.43 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 121.435 0.636 . . . . 54.14 112.298 -173.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -60.96 -28.27 68.85 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 115.146 -0.934 . . . . 71.31 110.892 170.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -54.33 -45.96 72.79 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.71 1.204 . . . . 70.15 112.964 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -66.91 -36.61 82.66 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 121.652 0.739 . . . . 65.23 110.316 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -68.45 -44.51 74.71 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 114.452 -1.249 . . . . 72.11 112.352 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -66.22 -40.26 90.16 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 122.973 0.509 . . . . 74.53 112.373 -176.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mp -71.67 -43.24 66.37 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.961 0.505 . . . . 71.45 111.009 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLY . . . . . 0.418 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -63.75 -53.33 38.72 Favored Glycine 0 CA--C 1.539 1.542 0 CA-C-N 116.416 -0.357 . . . . 73.22 113.123 176.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.04 -34.92 74.05 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 124.272 1.029 . . . . 55.22 111.93 176.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.56 -31.47 79.9 Favored Glycine 0 N--CA 1.475 1.242 0 CA-C-N 115.894 -0.594 . . . . 63.55 112.552 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' TRP . . . . . 0.439 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 55.2 t-105 -74.49 -35.76 63.25 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.683 0.793 . . . . 65.22 111.423 174.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.653 HD23 HG11 ' B' ' 55' ' ' VAL . 7.4 mp -62.39 -34.57 76.97 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.258 0.623 . . . . 64.52 110.98 172.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 81.9 mt -74.94 -36.49 62.12 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.78 0.832 . . . . 72.2 111.052 174.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.55 ' HA ' ' HD3' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -67.37 -31.88 72.42 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.85 0.46 . . . . 73.22 110.804 -179.694 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -99.2 -2.26 37.2 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.901 0.48 . . . . 70.2 111.549 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 t70 64.32 18.32 11.24 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 124.921 1.288 . . . . 75.15 112.335 172.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -73.56 -11.92 60.6 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.038 0.935 . . . . 64.53 112.951 -175.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.653 HG11 HD23 ' B' ' 49' ' ' LEU . 33.4 m -130.86 159.72 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-O 121.547 0.689 . . . . 72.32 111.972 -178.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -119.38 133.35 66.47 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 124.785 1.234 . . . . 53.11 109.776 172.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 37.3 p -103.11 139.57 38.45 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.121 0.968 . . . . 71.32 111.631 -172.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 59.5 m -143.02 165.93 26.02 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.634 1.174 . . . . 75.54 109.488 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -121.7 120.51 34.89 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.289 -0.634 . . . . 74.44 109.289 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 38.7 t -103.75 107.1 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 108.898 -0.778 . . . . 62.43 108.898 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 49.57 39.71 17.75 Favored 'General case' 0 CA--C 1.563 1.462 0 C-N-CA 125.429 1.492 . . . . 73.33 113.229 173.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.79 10.2 53.13 Favored Glycine 0 CA--C 1.541 1.709 0 N-CA-C 116.135 1.214 . . . . 53.01 116.135 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -132.83 160.47 36.83 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 119.374 1.587 . . . . 71.21 112.735 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 65.1 mt -73.64 110.92 7.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 124.29 1.036 . . . . 73.13 111.092 -176.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -117.33 116.85 28.03 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.088 0.955 . . . . 74.01 109.598 176.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 33.3 t -122.35 148.86 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 123.005 0.522 . . . . 73.24 110.88 -175.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.8 157.16 43.94 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.29 0.636 . . . . 72.13 109.786 175.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.545 HD23 HG12 ' B' ' 55' ' ' VAL . 63.7 mt -67.73 155.19 39.83 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.488 0.315 . . . . 72.43 111.116 177.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 CA--C 1.552 1.042 0 CA-C-O 121.389 0.614 . . . . 71.23 109.778 173.26 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 tt . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 112.352 0.501 . . . . 74.02 112.352 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -69.22 -48.92 60.62 Favored 'General case' 0 CA--C 1.56 1.339 0 C-N-CA 123.392 0.677 . . . . 72.32 111.783 -177.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.93 -38.63 69.82 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 122.862 0.465 . . . . 71.23 112.003 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -32.02 64.13 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 122.753 0.421 . . . . 64.33 110.891 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.03 97.61 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.142 0.577 . . . . 74.44 111.154 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.27 -42.98 93.83 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-N 115.512 -0.767 . . . . 41.41 113.586 174.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.73 91.43 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.415 0.686 . . . . 72.45 112.359 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.8 mt -70.16 -27.65 64.71 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.806 0.842 . . . . 61.35 112.074 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.401 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -58.06 -42.43 85.46 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 113.33 0.863 . . . . 64.13 113.33 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.38 -53.21 36.21 Favored Glycine 0 CA--C 1.538 1.495 0 O-C-N 123.85 0.719 . . . . 72.32 114.875 -176.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -69.27 -36.33 77.0 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.496 0.718 . . . . 65.22 112.493 -176.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.575 HG23 HG21 ' A' ' 30' ' ' ILE . 68.6 mt -65.19 -44.56 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 123.08 0.552 . . . . 75.33 110.423 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -59.49 -45.47 91.61 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-N 115.315 -0.857 . . . . 70.11 111.239 175.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.03 -25.93 65.63 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.735 0.814 . . . . 60.22 112.757 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.6 -30.37 68.11 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 122.998 0.519 . . . . 61.21 111.2 172.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.562 HD21 HD11 ' A' ' 30' ' ' ILE . 87.8 mt -88.1 -20.67 25.38 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.819 0.848 . . . . 70.34 112.003 176.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -70.57 123.38 21.7 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.841 0.456 . . . . 73.23 111.257 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.4 -15.42 63.3 Favored Glycine 0 CA--C 1.54 1.619 0 CA-C-N 115.929 -0.578 . . . . 54.53 114.131 -176.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.9 p -106.69 171.04 7.58 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.716 0.806 . . . . 72.12 111.335 -177.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -89.24 2.99 53.48 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 122.892 0.477 . . . . 74.25 111.952 175.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.535 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 113.28 144.53 9.01 Favored Glycine 0 C--N 1.349 1.305 0 N-CA-C 114.085 0.394 . . . . 64.22 114.085 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.569 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 2.7 mm? -126.92 166.54 17.32 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.329 1.052 . . . . 74.01 109.757 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.1 p -87.35 170.07 11.73 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 110.201 -0.296 . . . . 74.15 110.201 169.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -55.14 -37.25 66.7 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.014 0.526 . . . . 75.15 112.042 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -61.38 -44.38 97.26 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.84 1.256 . . . . 64.54 112.109 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.569 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 11.1 mm-40 -74.12 -39.52 63.29 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 115.509 -0.768 . . . . 61.21 111.101 -177.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.575 HG21 HG23 ' A' ' 15' ' ' ILE . 79.0 mt -65.2 -42.18 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 123.481 0.713 . . . . 65.51 111.79 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -54.04 -32.89 55.84 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 123.367 0.667 . . . . 72.5 112.307 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -70.81 -49.94 40.97 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.192 0.597 . . . . 61.12 111.234 174.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.79 76.54 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.041 0.936 . . . . 52.34 112.787 -175.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.6 p -101.68 -10.49 19.96 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.442 1.097 . . . . 45.14 112.447 -177.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt 68.95 25.35 6.04 Favored 'General case' 0 CA--C 1.571 1.75 0 C-N-CA 124.312 1.045 . . . . 72.23 111.468 176.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 68.5 mt -78.47 93.29 4.74 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.019 -0.537 . . . . 50.24 110.401 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -34.98 72.68 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.439 1.096 . . . . 62.12 112.261 -178.165 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -104.51 141.07 37.04 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.879 0.871 . . . . 53.42 110.419 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.56 -25.01 63.79 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.379 0.672 . . . . 73.32 110.381 172.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -53.02 -35.85 59.87 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.662 1.185 . . . . 71.4 112.596 169.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -67.59 -41.17 84.53 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-O 121.327 0.584 . . . . 72.13 110.236 174.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -71.2 -46.35 61.45 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.298 -0.864 . . . . 75.24 112.19 -174.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.95 -43.7 98.29 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 112.408 0.521 . . . . 70.33 112.408 -172.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 mp -73.59 -36.79 65.58 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.394 0.677 . . . . 74.4 111.047 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.431 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -65.1 -46.39 88.6 Favored Glycine 0 CA--C 1.54 1.647 0 CA-C-N 116.701 -0.227 . . . . 64.21 112.656 172.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.7 tp -63.57 -33.82 76.44 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 124.802 1.241 . . . . 74.14 111.302 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.12 -31.53 81.03 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-N 115.344 -0.843 . . . . 52.43 112.319 176.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.447 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 15.5 t-105 -75.81 -34.03 60.14 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 123.398 0.679 . . . . 73.02 110.894 175.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.551 ' HA ' ' HD3' ' A' ' 54' ' ' LYS . 8.4 mp -62.12 -38.92 90.77 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.338 0.655 . . . . 75.1 111.837 172.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -75.9 -34.21 59.93 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.067 0.547 . . . . 72.11 110.992 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.525 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -63.59 -34.45 77.84 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.43 0.692 . . . . 70.33 112.276 -177.847 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.525 ' HG3' ' HG3' ' A' ' 51' ' ' ARG . 67.5 mt-10 -103.14 6.96 38.74 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 112.704 0.631 . . . . 71.32 112.704 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 63.1 28.46 16.08 Favored 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 124.046 0.938 . . . . 64.23 112.521 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.551 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 21.1 mtpp -71.51 -27.81 63.47 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.118 0.967 . . . . 71.32 111.033 -176.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.569 HG12 HD23 ' A' ' 68' ' ' LEU . 32.1 m -137.55 175.25 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 123.704 0.802 . . . . 73.41 111.789 -171.293 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -133.1 136.23 55.58 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 C-N-CA 124.621 1.168 . . . . 74.12 109.43 171.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.0 p -112.14 151.73 29.14 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.585 0.754 . . . . 74.12 111.189 -174.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.5 t -150.12 170.17 19.56 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.494 1.118 . . . . 64.41 109.91 -176.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -110.87 107.57 17.09 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.054 0.541 . . . . 71.13 110.301 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.576 HG12 ' HG2' ' A' ' 61' ' ' GLU . 54.4 t -110.92 117.17 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 123.732 0.813 . . . . 62.13 109.365 174.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.576 ' HG2' HG12 ' A' ' 60' ' ' VAL . 7.2 pt-20 46.86 43.54 13.46 Favored 'General case' 0 N--CA 1.5 2.034 0 C-N-CA 125.326 1.451 . . . . 70.42 113.937 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 73.94 15.85 79.59 Favored Glycine 0 CA--C 1.538 1.473 0 N-CA-C 114.606 0.602 . . . . 64.21 114.606 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -126.82 152.95 46.27 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.678 0.791 . . . . 74.41 110.501 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.7 mt -74.54 113.19 12.74 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 C-N-CA 123.083 0.553 . . . . 72.33 110.996 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -98.33 139.65 33.78 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.049 0.939 . . . . 72.42 109.091 169.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.5 p -140.85 147.17 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 122.593 0.357 . . . . 55.11 111.834 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.535 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 22.8 pttp -152.52 154.04 34.66 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.382 0.673 . . . . 72.4 110.141 175.03 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.569 HD23 HG12 ' A' ' 55' ' ' VAL . 38.7 mt -64.15 149.13 48.4 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 112.088 0.403 . . . . 60.04 112.088 -178.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.1 t . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.159 -0.682 . . . . 74.02 109.159 170.184 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 30.9 mmt . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 121.446 0.641 . . . . 74.13 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.58 HD22 ' HD2' ' B' ' 7' ' ' LYS . 2.6 tm? -57.19 -35.85 70.12 Favored 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 124.931 1.292 . . . . 73.3 111.741 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.438 ' HG3' ' HZ3' ' B' ' 48' ' ' TRP . 38.6 ttmt -65.64 -39.81 91.82 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.078 0.551 . . . . 73.42 112.122 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.2 -41.12 77.53 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.381 0.673 . . . . 65.03 112.201 -174.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.58 ' HD2' HD22 ' B' ' 4' ' ' LEU . 0.0 OUTLIER -73.44 -27.07 61.23 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 122.515 0.326 . . . . 72.41 111.844 175.147 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.51 -38.57 91.49 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.127 0.571 . . . . 54.22 111.35 174.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.54 -32.72 84.2 Favored Glycine 0 CA--C 1.539 1.551 0 CA-C-N 115.724 -0.671 . . . . 70.43 113.874 174.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.05 -45.13 71.16 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.028 0.531 . . . . 71.14 111.508 174.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.39 -33.47 73.72 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.811 0.844 . . . . 64.31 111.48 176.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.09 -43.58 74.09 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.585 0.754 . . . . 63.42 112.191 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.46 -50.98 61.9 Favored Glycine 0 CA--C 1.533 1.206 0 CA-C-N 115.455 -0.793 . . . . 43.01 113.893 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -69.88 -33.7 72.57 Favored 'General case' 0 CA--C 1.557 1.232 0 N-CA-C 112.406 0.521 . . . . 73.42 112.406 -176.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.634 HG23 HG21 ' B' ' 30' ' ' ILE . 90.5 mt -67.79 -43.84 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 123.493 0.717 . . . . 63.15 111.047 177.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' TRP . . . . . 0.44 ' HE1' ' HG2' ' B' ' 54' ' ' LYS . 73.1 t90 -61.68 -43.42 98.89 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.266 0.627 . . . . 73.25 110.948 174.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -63.43 -37.79 88.63 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 123.952 0.901 . . . . 73.35 110.28 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.31 84.8 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.792 0.837 . . . . 74.5 111.607 175.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.546 HD21 HD11 ' B' ' 30' ' ' ILE . 85.3 mt -76.45 -24.75 53.92 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.883 0.873 . . . . 75.02 112.471 177.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -72.02 133.3 45.21 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 122.527 0.331 . . . . 71.52 110.623 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.77 -1.28 78.11 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 115.974 -0.557 . . . . 43.22 114.303 -176.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 32.8 p -122.32 169.53 10.84 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.52 0.728 . . . . 55.51 110.302 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -82.33 3.71 26.73 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.156 0.582 . . . . 73.5 111.513 173.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.13 153.26 8.34 Favored Glycine 0 C--N 1.348 1.199 0 C-N-CA 123.664 0.65 . . . . 71.14 112.107 -174.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.575 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 80.8 mt -134.62 154.39 51.52 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.944 0.897 . . . . 71.13 109.979 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 69.0 p -77.69 167.44 21.57 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.495 0.318 . . . . 64.43 110.269 171.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -57.47 -35.03 69.64 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 122.858 0.463 . . . . 72.31 112.179 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -67.79 -42.53 81.48 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.995 0.918 . . . . 62.42 111.591 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLN . . . . . 0.575 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 15.2 mm-40 -67.89 -37.0 81.21 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 120.801 0.334 . . . . 71.2 111.694 -178.398 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.634 HG21 HG23 ' B' ' 15' ' ' ILE . 60.8 mt -69.2 -42.61 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.184 0.594 . . . . 75.24 110.569 173.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -52.24 -45.88 65.5 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 125.133 1.373 . . . . 62.25 111.111 176.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -67.98 -46.65 70.75 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 114.295 -1.32 . . . . 41.1 111.369 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.58 -29.21 67.69 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.894 0.701 . . . . 74.02 112.894 -176.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 76.8 p -94.1 -15.98 24.21 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.791 0.836 . . . . 64.22 111.712 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt 65.22 27.96 12.13 Favored 'General case' 0 CA--C 1.568 1.662 0 C-N-CA 124.71 1.204 . . . . 73.23 111.705 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -71.61 137.09 47.69 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 115.613 -0.721 . . . . 75.4 110.701 177.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -82.61 -50.21 9.01 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.592 0.757 . . . . 60.23 110.935 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.81 134.73 40.57 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.506 0.722 . . . . 72.15 110.866 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.11 -23.78 67.24 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 124.165 0.986 . . . . 74.41 111.654 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.411 ' O ' HD13 ' B' ' 44' ' ' LEU . 31.3 mmtp -61.67 -35.16 77.19 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.088 0.955 . . . . 74.13 111.709 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.59 -37.51 87.82 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.1 0.56 . . . . 71.31 110.976 173.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -64.75 -45.29 87.08 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 115.819 -0.628 . . . . 54.53 111.47 173.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -65.03 -37.15 86.66 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 122.729 0.412 . . . . 73.23 111.824 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.411 HD13 ' O ' ' B' ' 40' ' ' LYS . 2.5 mp -67.5 -45.97 74.3 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.337 1.055 . . . . 75.24 111.295 177.304 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLY . . . . . 0.481 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -68.08 -44.43 77.22 Favored Glycine 0 CA--C 1.537 1.468 0 CA-C-N 116.116 -0.493 . . . . 55.55 113.109 178.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 63.8 tp -64.49 -31.85 73.24 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.935 0.894 . . . . 75.32 111.219 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.87 -31.38 78.15 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-N 115.761 -0.654 . . . . 73.34 112.451 175.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' TRP . . . . . 0.472 ' O ' ' HG2' ' B' ' 52' ' ' GLU . 8.1 t-105 -75.53 -30.92 59.92 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.587 0.755 . . . . 54.43 111.079 175.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.573 HD23 HG11 ' B' ' 55' ' ' VAL . 6.4 mp -68.71 -33.37 73.83 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 123.125 0.57 . . . . 63.2 111.377 173.402 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 94.3 mt -71.72 -35.71 70.26 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.819 0.847 . . . . 73.3 110.845 171.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.45 ' HB2' ' HB2' ' A' ' 51' ' ' ARG . 19.8 ttt85 -56.64 -48.21 78.03 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.224 1.009 . . . . 74.4 111.643 172.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' B' ' 48' ' ' TRP . 25.5 mm-40 -78.37 -17.71 56.1 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.196 -0.456 . . . . 74.2 111.708 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.15 28.32 17.88 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 124.223 1.009 . . . . 71.35 110.586 -171.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.44 ' HG2' ' HE1' ' B' ' 16' ' ' TRP . 33.0 ttpt -88.56 -5.92 57.88 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 114.692 -1.14 . . . . 75.15 111.44 -173.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.573 HG11 HD23 ' B' ' 49' ' ' LEU . 29.0 m -133.51 162.71 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 CA-C-O 121.527 0.68 . . . . 73.4 112.279 175.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 37.6 t -106.94 126.79 62.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 125.609 1.564 . . . . 75.5 109.823 170.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 21.5 p -104.23 136.56 43.61 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 121.432 0.634 . . . . 43.2 111.404 176.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 47.3 t -147.23 170.64 16.83 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.145 1.378 . . . . 74.13 109.127 -175.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -120.06 122.24 40.64 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.96 -0.462 . . . . 75.13 111.828 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.39 107.79 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 123.699 0.8 . . . . 60.23 109.622 168.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 55.17 39.11 31.34 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.049 1.34 . . . . 71.21 113.451 173.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.32 -26.36 15.88 Favored Glycine 0 CA--C 1.54 1.609 0 N-CA-C 114.389 0.516 . . . . 52.15 114.389 -176.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -81.54 149.15 28.8 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.293 0.637 . . . . 74.35 112.01 177.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 74.2 mt -77.97 105.71 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.391 0.676 . . . . 55.44 110.501 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -95.1 117.21 29.81 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.273 0.629 . . . . 74.41 109.984 173.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.43 147.08 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.101 0.56 . . . . 74.42 110.032 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -145.18 152.16 39.57 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.232 0.613 . . . . 65.0 109.504 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 66.5 mt -72.36 145.78 47.52 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 112.534 0.568 . . . . 75.35 112.534 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 77.0 t . . . . . 0 CA--C 1.553 1.068 0 N-CA-C 109.035 -0.728 . . . . 73.0 109.035 165.817 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 113.571 0.952 . . . . 73.12 113.571 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 5' ' ' LYS . 43.1 mtpt -64.12 -47.39 80.16 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.388 0.675 . . . . 71.51 111.165 169.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -73.52 -29.67 62.62 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.296 1.038 . . . . 63.31 111.08 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -67.02 -43.72 82.14 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 123.591 0.756 . . . . 65.21 109.909 170.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.29 -31.32 71.89 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.533 0.733 . . . . 73.51 111.311 171.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.19 -32.11 65.81 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-N 115.792 -0.64 . . . . 43.01 113.427 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.1 -37.27 69.56 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.271 0.628 . . . . 54.31 110.666 174.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.81 -36.51 82.55 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.529 0.732 . . . . 44.35 110.446 171.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.403 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -58.76 -48.2 82.02 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.063 0.945 . . . . 64.1 112.848 178.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.42 -53.97 32.35 Favored Glycine 0 CA--C 1.537 1.453 0 O-C-N 123.871 0.732 . . . . 71.34 113.966 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -64.76 -32.98 74.91 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 112.383 0.512 . . . . 75.01 112.383 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.7 mt -70.3 -39.35 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 C-N-CA 122.853 0.461 . . . . 75.44 111.16 178.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -60.87 -52.36 65.39 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.936 0.494 . . . . 71.44 111.099 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.32 -31.91 66.15 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 122.84 0.456 . . . . 74.45 112.187 175.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.84 -41.13 87.94 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.198 0.599 . . . . 65.23 111.526 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.557 HD21 HD11 ' A' ' 30' ' ' ILE . 96.1 mt -79.82 -18.0 51.92 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.631 0.772 . . . . 54.21 112.467 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -74.7 136.75 41.82 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.278 0.631 . . . . 73.05 110.543 175.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.4 -44.78 3.39 Favored Glycine 0 CA--C 1.541 1.674 0 C-N-CA 122.661 0.172 . . . . 72.1 113.522 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.6 p -75.27 161.85 28.96 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.071 0.549 . . . . 62.23 111.61 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -67.38 -10.17 48.58 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 123.732 0.813 . . . . 61.1 112.698 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 117.95 142.19 7.0 Favored Glycine 0 C--N 1.343 0.971 0 N-CA-C 111.07 -0.812 . . . . 71.54 111.07 -170.137 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.429 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 94.2 mt -128.03 154.43 45.66 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 117.481 0.64 . . . . 72.3 110.836 -172.404 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.2 p -86.3 170.73 11.8 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.494 0.718 . . . . 74.5 110.508 173.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -27.8 66.99 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 118.345 0.521 . . . . 53.54 111.992 179.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -69.69 -44.13 71.05 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 124.495 1.118 . . . . 71.43 111.94 174.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 93.9 mt-30 -76.31 -39.38 54.25 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.487 0.715 . . . . 64.12 111.91 -176.414 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.557 HD11 HD21 ' A' ' 19' ' ' LEU . 85.2 mt -64.86 -33.39 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 124.02 0.928 . . . . 74.04 110.951 173.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HE3' ' HB3' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -52.47 -47.2 66.65 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.826 0.85 . . . . 75.14 110.593 175.071 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -69.41 -46.46 66.78 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 115.126 -0.943 . . . . 62.0 112.228 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.54 -42.88 99.81 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.686 0.794 . . . . 71.2 113.038 -174.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.9 p -87.73 -7.51 57.27 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.063 0.945 . . . . 72.04 112.943 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp 67.51 51.33 0.86 Allowed 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 124.668 1.187 . . . . 65.45 112.289 176.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -133.18 173.22 11.67 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.461 0.704 . . . . 62.21 110.875 174.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -124.18 -30.88 3.4 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.465 0.706 . . . . 72.11 110.877 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.83 108.94 19.4 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.365 0.666 . . . . 71.04 111.549 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.464 ' HB3' ' HE3' ' A' ' 31' ' ' LYS . 2.4 p-10 -59.16 -24.43 63.03 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 124.245 1.018 . . . . 53.12 112.159 169.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -51.95 -42.81 63.16 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.268 1.027 . . . . 65.53 112.02 174.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.52 -36.53 71.08 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.783 0.833 . . . . 44.34 111.134 176.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.418 ' CZ ' HD22 ' A' ' 46' ' ' LEU . 40.3 t80 -59.11 -39.13 81.34 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.724 0.81 . . . . 72.35 112.116 176.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -66.84 -36.21 81.82 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 122.71 0.404 . . . . 71.0 111.892 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.33 -44.43 91.54 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.641 0.777 . . . . 52.34 111.249 173.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.432 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -69.12 -49.51 39.98 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-N 116.043 -0.526 . . . . 74.41 113.779 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.732 HD11 HG21 ' A' ' 66' ' ' VAL . 50.7 tp -64.89 -34.12 77.63 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.65 0.78 . . . . 75.51 111.311 -178.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.11 -31.02 79.3 Favored Glycine 0 N--CA 1.472 1.077 0 CA-C-N 115.527 -0.761 . . . . 71.22 112.202 175.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.403 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 10.7 t-105 -77.17 -30.29 54.85 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 123.145 0.578 . . . . 62.53 111.161 175.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.639 HD23 HG11 ' A' ' 55' ' ' VAL . 6.6 mp -64.59 -37.34 87.22 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.041 0.536 . . . . 71.42 110.844 171.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.8 mt -66.56 -44.87 81.14 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 122.96 0.504 . . . . 63.34 111.605 177.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.461 ' HB2' ' HB2' ' B' ' 51' ' ' ARG . 0.1 OUTLIER -65.62 -22.96 66.71 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 113.983 1.105 . . . . 71.42 113.983 -175.195 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -101.07 -3.43 29.29 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 117.928 0.331 . . . . 64.04 111.817 173.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.6 t70 62.32 45.83 6.4 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.546 1.138 . . . . 73.34 110.31 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -84.31 -26.06 28.81 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 114.902 -1.045 . . . . 73.15 111.13 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.639 HG11 HD23 ' A' ' 49' ' ' LEU . 29.4 m -133.46 158.51 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 113.165 0.802 . . . . 75.05 113.165 -171.079 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -120.7 136.1 58.79 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 124.357 1.063 . . . . 72.23 110.563 170.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.9 p -102.57 134.41 45.97 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.977 0.911 . . . . 73.2 110.627 -178.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.1 m -121.41 139.7 53.11 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.78 1.232 . . . . 75.54 109.499 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -98.07 104.14 16.15 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.13 0.572 . . . . 71.03 110.613 -175.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.6 t -116.43 107.37 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 123.085 0.554 . . . . 61.53 109.886 174.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 51.21 36.98 17.21 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 125.144 1.378 . . . . 62.5 113.571 174.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.95 -23.81 15.81 Favored Glycine 0 CA--C 1.541 1.675 0 N-CA-C 114.782 0.673 . . . . 41.22 114.782 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -70.11 137.11 50.86 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.705 0.802 . . . . 62.1 111.973 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 59.8 mt -75.64 94.56 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 N-CA-C 109.396 -0.594 . . . . 75.14 109.396 173.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -98.61 101.86 13.42 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 108.516 -0.92 . . . . 73.21 108.516 173.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.732 HG21 HD11 ' A' ' 46' ' ' LEU . 7.4 p -116.6 151.83 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 122.934 0.494 . . . . 74.34 110.531 -176.068 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.408 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 63.6 pttt -151.66 177.89 9.91 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.939 0.896 . . . . 53.41 108.943 177.116 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.7 mt -69.07 166.92 17.11 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.097 0.408 . . . . 64.23 111.603 175.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 82.0 t . . . . . 0 N--CA 1.49 1.527 0 C-N-CA 123.043 0.537 . . . . 74.51 111.125 171.297 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 50.2 ttm . . . . . 0 CA--C 1.564 1.482 0 CA-C-O 120.305 0.098 . . . . 75.15 111.119 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.418 ' H ' HD12 ' B' ' 4' ' ' LEU . 6.3 mp -53.41 -29.94 37.63 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.509 0.723 . . . . 72.12 111.825 176.048 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -68.78 -51.22 43.38 Favored 'General case' 0 CA--C 1.559 1.29 0 C-N-CA 124.161 0.984 . . . . 74.24 111.734 174.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.02 -48.69 80.67 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.651 0.78 . . . . 64.3 112.274 -175.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -67.17 -29.8 69.59 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 112.824 0.676 . . . . 73.5 112.824 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -24.56 63.46 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.664 0.785 . . . . 71.44 112.143 173.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.37 -31.32 80.48 Favored Glycine 0 CA--C 1.543 1.796 0 CA-C-N 115.569 -0.741 . . . . 63.32 113.848 172.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.25 89.96 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.11 0.564 . . . . 74.5 111.472 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.67 -38.78 90.25 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 115.768 -0.651 . . . . 74.32 110.502 174.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.72 -48.4 81.27 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.903 0.881 . . . . 63.44 112.822 176.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.68 -52.97 44.78 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.308 -0.86 . . . . 33.24 113.9 -177.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -66.97 -34.51 77.91 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.525 0.73 . . . . 60.01 112.815 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.653 HD12 ' HA3' ' B' ' 45' ' ' GLY . 69.2 mt -64.9 -43.92 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 C-N-CA 122.877 0.471 . . . . 51.15 111.079 176.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -59.64 -42.68 93.3 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.44 0.696 . . . . 74.44 110.83 174.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -66.64 -30.23 70.45 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.929 0.891 . . . . 63.41 112.359 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.32 -34.26 74.38 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.192 0.597 . . . . 73.21 111.185 173.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.604 HD21 HD11 ' B' ' 30' ' ' ILE . 91.9 mt -79.34 -26.74 42.06 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.111 0.965 . . . . 73.45 112.697 176.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -65.11 125.68 25.71 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.992 0.517 . . . . 73.21 112.106 -172.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.12 -35.52 4.07 Favored Glycine 0 CA--C 1.537 1.423 0 CA-C-N 116.087 -0.506 . . . . 74.12 113.641 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 60.6 p -84.42 167.51 16.39 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.16 0.584 . . . . 61.32 111.909 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -86.28 34.36 0.63 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.031 0.933 . . . . 64.42 111.547 173.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.518 ' HA3' ' HG2' ' B' ' 67' ' ' LYS . . . 88.12 157.63 32.25 Favored Glycine 0 C--N 1.346 1.109 0 CA-C-N 116.065 -0.516 . . . . 74.51 113.754 175.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.468 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 98.3 mt -136.63 156.17 48.91 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.216 1.007 . . . . 72.11 110.108 -176.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 43.5 p -75.72 171.21 14.74 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.124 0.57 . . . . 75.1 110.928 172.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -55.38 -40.15 70.98 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.772 0.429 . . . . 61.24 110.954 172.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -60.77 -53.18 60.54 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 124.018 0.927 . . . . 71.33 111.945 176.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLN . . . . . 0.468 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 87.1 mm-40 -66.05 -37.29 85.46 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.826 0.85 . . . . 75.54 112.375 -175.306 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.604 HD11 HD21 ' B' ' 19' ' ' LEU . 91.7 mt -67.12 -45.38 86.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.276 0.63 . . . . 44.42 110.765 174.511 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.489 ' HG2' ' HB2' ' B' ' 36' ' ' LEU . 24.4 mtpp -61.51 -26.62 68.04 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.811 0.444 . . . . 52.43 111.975 176.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -71.25 -54.1 12.07 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.699 0.4 . . . . 73.42 111.452 171.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.12 -34.29 78.04 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 112.991 0.737 . . . . 74.4 112.991 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.46 ' OG1' ' HG ' ' B' ' 36' ' ' LEU . 69.1 p -99.72 -13.29 19.37 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 123.943 0.897 . . . . 63.2 112.227 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . 0.257 14.6 ptmm? 53.31 49.1 20.53 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 125.92 1.688 . . . . 74.33 112.99 -178.017 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.56 HD22 ' HB3' ' B' ' 41' ' ' ASP . 98.0 mt -64.46 143.81 57.64 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 114.763 -1.108 . . . . 64.43 111.526 174.175 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -73.06 -56.59 4.92 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.365 0.666 . . . . 53.3 112.278 -175.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.76 173.39 7.24 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.834 0.826 . . . . 73.53 112.575 -173.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -58.47 -38.77 78.26 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 125.331 1.452 . . . . 64.23 111.337 174.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.463 ' HA ' ' HD2' ' B' ' 43' ' ' PHE . 35.6 mmtp -68.33 -33.96 75.25 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.484 1.114 . . . . 65.11 112.86 -175.075 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.56 ' HB3' HD22 ' B' ' 36' ' ' LEU . 1.2 m-20 -52.34 -35.22 50.41 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 124.745 1.218 . . . . 74.12 111.789 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -71.88 -42.09 67.21 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.083 -0.962 . . . . 72.21 112.182 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.463 ' HD2' ' HA ' ' B' ' 40' ' ' LYS . 54.8 m-85 -68.95 -34.1 74.79 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.09 0.556 . . . . 71.02 112.266 -176.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.95 -38.52 91.39 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.266 0.626 . . . . 73.34 111.005 173.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLY . . . . . 0.653 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -75.3 -60.5 3.26 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 115.763 -0.653 . . . . 74.22 113.579 178.104 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 47.0 tp -58.19 -35.14 71.18 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.242 1.017 . . . . 61.4 112.62 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.05 -31.29 80.38 Favored Glycine 0 N--CA 1.479 1.524 0 CA-C-O 121.477 0.487 . . . . 72.13 112.553 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' TRP . . . . . 0.543 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 13.7 t-105 -74.55 -34.69 63.01 Favored 'General case' 0 CA--C 1.564 1.511 0 C-N-CA 124.196 0.998 . . . . 74.14 110.838 174.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.606 HD23 HG11 ' B' ' 55' ' ' VAL . 5.9 mp -66.8 -35.01 79.08 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.18 0.592 . . . . 62.25 110.701 174.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 79.3 mt -71.63 -34.78 70.09 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.29 1.036 . . . . 73.31 111.958 173.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' B' ' 48' ' ' TRP . 5.0 ptt180 -60.39 -27.7 67.64 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 112.451 0.537 . . . . 75.22 112.451 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.463 ' HG3' ' HG3' ' B' ' 51' ' ' ARG . 32.5 mt-10 -112.38 -4.02 14.37 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.189 0.996 . . . . 72.34 111.878 177.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 p30 48.69 50.88 16.59 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 125.663 1.585 . . . . 71.11 113.177 -176.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -87.16 -6.09 58.76 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 114.64 -1.164 . . . . 65.15 110.796 172.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.606 HG11 HD23 ' B' ' 49' ' ' LEU . 26.9 m -130.0 159.5 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.297 1.039 . . . . 52.11 112.048 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 3.7 p -116.24 122.66 70.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-N 115.378 -0.828 . . . . 63.52 109.167 165.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 81.5 p -104.25 147.46 27.45 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.121 0.569 . . . . 70.3 111.229 -174.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 68.0 m -143.65 166.43 24.88 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.118 0.967 . . . . 75.22 110.138 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -118.46 121.97 41.61 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.479 0.712 . . . . 72.21 109.722 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -112.37 106.69 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.927 0.891 . . . . 64.51 109.106 174.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 47.2 50.71 14.01 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 125.5 1.52 . . . . 75.11 113.307 170.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.81 -27.1 10.42 Favored Glycine 0 CA--C 1.544 1.853 0 CA-C-N 115.462 -0.79 . . . . 74.44 114.887 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -91.7 154.85 18.7 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 117.641 0.72 . . . . 72.15 111.816 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 63.2 mt -88.34 122.62 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 123.311 0.644 . . . . 74.2 110.898 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -121.79 125.8 47.36 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.315 1.046 . . . . 74.14 108.84 173.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.6 m -129.52 154.52 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 122.752 0.421 . . . . 62.22 111.88 -173.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.518 ' HG2' ' HA3' ' B' ' 24' ' ' GLY . 48.2 mtpt -130.88 177.05 7.72 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.612 1.165 . . . . 72.52 109.579 174.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.494 HD23 HG12 ' B' ' 55' ' ' VAL . 68.0 mt -86.37 160.05 19.19 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.566 0.346 . . . . 72.11 110.383 166.216 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 98.2 t . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 109.763 -0.458 . . . . 72.14 109.763 170.785 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 CA--C 1.555 1.148 0 CA-C-O 121.157 0.503 . . . . 63.11 110.601 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -70.47 -38.47 74.44 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.822 0.849 . . . . 71.44 111.669 169.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -64.26 -51.32 64.15 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.417 0.687 . . . . 74.31 111.783 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -65.85 -32.44 73.96 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 116.596 -0.274 . . . . 74.55 111.358 177.485 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.455 ' N ' ' HD2' ' A' ' 7' ' ' LYS . . . -63.34 -37.95 89.25 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.11 0.564 . . . . 73.12 111.159 174.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.6 -32.68 71.18 Favored Glycine 0 CA--C 1.539 1.549 0 CA-C-N 115.714 -0.676 . . . . 64.52 113.357 173.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.11 -41.71 85.77 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.373 0.669 . . . . 61.14 111.479 177.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.461 HD13 ' HB3' ' A' ' 41' ' ' ASP . 63.0 mt -75.41 -31.49 60.42 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.599 0.76 . . . . 75.04 110.676 177.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.87 -55.16 37.95 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.927 0.891 . . . . 62.34 112.445 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.85 -31.75 47.18 Favored Glycine 0 CA--C 1.537 1.465 0 O-C-N 123.703 0.627 . . . . 62.04 114.374 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.89 -47.09 40.56 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.612 0.765 . . . . 72.0 111.692 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.415 HG12 HG21 ' A' ' 34' ' ' THR . 54.0 mt -64.57 -43.24 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 122.703 0.401 . . . . 62.21 110.706 177.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -54.07 -50.23 67.23 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.603 1.161 . . . . 64.31 111.223 175.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.21 -29.29 68.1 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 115.317 -0.856 . . . . 74.14 111.685 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.51 -35.92 78.16 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.178 0.591 . . . . 42.22 111.295 173.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.413 HD23 HD13 ' A' ' 25' ' ' LEU . 74.9 mt -81.48 -24.1 36.96 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.615 0.766 . . . . 70.34 111.774 176.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -63.58 118.97 8.95 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.552 0.741 . . . . 71.12 111.22 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.72 -35.07 5.17 Favored Glycine 0 CA--C 1.542 1.745 0 CA-C-N 115.951 -0.568 . . . . 72.42 113.262 -174.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.0 p -90.07 171.66 9.39 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 112.996 0.739 . . . . 53.13 112.996 -174.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -91.02 2.33 56.39 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.592 0.757 . . . . 72.44 111.966 173.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.47 147.71 7.37 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 114.45 0.54 . . . . 71.4 114.45 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.424 HD23 ' HB3' ' A' ' 29' ' ' GLN . 6.1 mp -124.9 159.23 31.62 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.135 0.974 . . . . 70.24 109.535 176.184 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.2 p -89.67 172.08 9.2 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.718 0.407 . . . . 73.51 110.367 172.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -52.14 -49.98 62.66 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 113.198 0.814 . . . . 74.54 113.198 -175.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -70.24 -29.8 66.7 Favored 'General case' 0 CA--C 1.56 1.339 0 N-CA-C 112.53 0.567 . . . . 71.21 112.53 -176.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.424 ' HB3' HD23 ' A' ' 25' ' ' LEU . 52.7 mt-30 -67.31 -44.55 78.89 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 120.938 0.399 . . . . 75.24 111.331 173.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -68.84 -33.0 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 123.24 0.616 . . . . 73.35 111.181 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -52.3 -42.98 64.24 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.528 0.731 . . . . 55.13 111.613 173.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -69.05 -47.63 64.88 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 122.862 0.465 . . . . 71.5 111.378 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.73 93.79 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 112.943 0.72 . . . . 63.13 112.943 -175.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.415 HG21 HG12 ' A' ' 15' ' ' ILE . 65.9 p -99.24 -13.33 19.74 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.973 0.909 . . . . 64.14 112.795 -174.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt 63.44 29.62 15.47 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.414 1.086 . . . . 74.1 112.781 174.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.444 HD21 HD22 ' A' ' 11' ' ' LEU . 92.2 mt -75.86 118.76 18.99 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.913 0.485 . . . . 63.23 110.523 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -69.89 -54.11 14.94 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.201 0.6 . . . . 71.1 111.82 -175.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.6 154.58 17.3 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.211 0.604 . . . . 64.23 111.25 -174.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -60.72 -38.03 83.72 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 124.639 1.176 . . . . 72.52 111.465 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -57.01 -50.49 72.56 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.21 1.404 . . . . 72.4 112.077 -175.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.461 ' HB3' HD13 ' A' ' 11' ' ' LEU . 7.9 m-20 -55.04 -37.29 66.51 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.402 1.081 . . . . 61.51 112.305 178.27 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -66.18 -45.35 81.14 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 123.512 0.725 . . . . 74.11 111.856 176.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -69.54 -38.94 77.69 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 112.612 0.597 . . . . 61.32 112.612 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 mp -71.72 -31.93 67.24 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.353 0.661 . . . . 61.33 110.914 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.98 -62.36 4.55 Favored Glycine 0 CA--C 1.535 1.313 0 CA-C-N 116.242 -0.435 . . . . 31.22 112.814 174.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.48 -24.64 63.8 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.778 0.431 . . . . 62.11 110.986 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.39 -30.68 75.52 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 116.362 -0.381 . . . . 72.24 112.389 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -75.85 -29.27 58.52 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-O 121.399 0.619 . . . . 74.13 110.367 172.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.573 HD23 HG11 ' A' ' 55' ' ' VAL . 6.5 mp -65.21 -35.81 82.22 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.091 0.556 . . . . 51.41 110.881 169.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.2 mt -73.47 -34.79 65.54 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.122 0.569 . . . . 65.4 110.776 173.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.574 ' HA ' ' HD2' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -59.77 -40.7 89.08 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 123.745 0.818 . . . . 74.33 112.698 -174.561 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -104.17 6.5 35.72 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.622 0.769 . . . . 61.51 112.17 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 61.0 38.47 17.33 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.079 0.952 . . . . 60.34 111.835 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -71.22 -25.1 62.35 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.575 1.15 . . . . 73.11 111.28 174.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.573 HG11 HD23 ' A' ' 49' ' ' LEU . 32.9 m -134.03 166.72 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-O 122.418 1.104 . . . . 73.22 113.298 -173.01 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.1 p -128.95 139.5 51.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 CA-C-N 113.182 -1.827 . . . . 72.55 109.292 169.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.689 HG22 HG12 ' A' ' 66' ' ' VAL . 75.4 p -100.96 171.22 7.78 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.278 0.631 . . . . 71.11 111.216 -172.136 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.471 ' HB3' ' HD2' ' A' ' 65' ' ' PHE . 38.7 t -163.21 165.24 24.61 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.207 1.003 . . . . 75.54 109.956 172.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.502 ' HB2' HD11 ' B' ' 4' ' ' LEU . 1.8 tm-20 -109.23 118.5 36.88 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.825 0.85 . . . . 75.54 109.721 178.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -117.8 111.95 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 N-CA-C 109.252 -0.647 . . . . 74.42 109.252 169.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 62.94 34.98 13.67 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 124.213 1.005 . . . . 74.55 113.017 173.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.87 13.79 82.78 Favored Glycine 0 CA--C 1.542 1.769 0 N-CA-C 114.355 0.502 . . . . 51.5 114.355 -175.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -116.07 150.85 36.65 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 123.963 0.905 . . . . 61.01 111.187 -175.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.7 mt -73.44 111.15 7.83 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 123.403 0.681 . . . . 65.25 110.759 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.471 ' HD2' ' HB3' ' A' ' 58' ' ' SER . 91.5 t80 -117.55 103.09 9.73 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.73 1.212 . . . . 72.1 109.29 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.689 HG12 HG22 ' A' ' 57' ' ' THR . 34.0 m -110.26 151.32 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 122.834 0.453 . . . . 63.25 111.016 -176.106 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.66 158.79 43.92 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.92 0.888 . . . . 74.24 109.38 177.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.475 HD23 HG12 ' A' ' 55' ' ' VAL . 25.4 mt -61.04 163.69 5.74 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 118.754 0.707 . . . . 75.22 111.571 176.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 121.945 0.879 . . . . 70.03 109.803 173.182 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.2 tpt . . . . . 0 CA--C 1.554 1.119 0 N-CA-C 110.145 -0.317 . . . . 71.02 110.145 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 59' ' ' GLU . 6.5 mp -59.48 -26.0 64.9 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 123.767 0.827 . . . . 72.21 111.296 178.481 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -69.98 -50.28 43.3 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.217 1.007 . . . . 65.43 111.448 173.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -65.16 -48.18 74.41 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 116.273 -0.421 . . . . 64.1 111.626 -172.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -27.09 67.3 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 116.138 -0.483 . . . . 75.3 111.672 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.86 99.6 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 122.9 0.48 . . . . 72.43 110.94 172.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.22 -33.21 68.89 Favored Glycine 0 C--N 1.347 1.166 0 CA-C-N 115.532 -0.758 . . . . 75.5 113.723 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.76 -52.05 54.18 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.299 0.64 . . . . 50.41 111.378 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.532 HD22 HD21 ' B' ' 36' ' ' LEU . 93.0 mt -62.48 -34.31 76.58 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.654 0.782 . . . . 73.03 111.517 177.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.99 -38.6 68.05 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.399 0.679 . . . . 71.45 112.467 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.26 -50.44 67.76 Favored Glycine 0 CA--C 1.541 1.666 0 CA-C-N 115.979 -0.555 . . . . 70.55 114.181 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -73.79 -33.09 64.07 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 122.911 0.484 . . . . 64.41 112.147 -177.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.493 HG23 HG21 ' B' ' 30' ' ' ILE . 94.5 mt -64.63 -44.69 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 C-N-CA 122.908 0.483 . . . . 74.23 110.589 175.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' TRP . . . . . 0.489 ' CD1' ' HD3' ' B' ' 54' ' ' LYS . 72.2 t90 -61.84 -42.04 98.55 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.28 0.632 . . . . 75.51 111.436 175.038 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -60.78 -37.01 80.43 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.194 0.997 . . . . 74.54 111.382 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.35 86.96 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.053 0.541 . . . . 70.21 111.583 174.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.488 HD21 HD11 ' B' ' 30' ' ' ILE . 68.3 mt -81.42 -21.34 38.98 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.099 0.96 . . . . 72.24 111.821 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ASN . . . . . 0.632 ' HA ' HD11 ' B' ' 68' ' ' LEU . 28.7 t-20 -71.22 128.9 37.44 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.489 0.716 . . . . 73.11 111.096 -177.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.07 3.32 74.97 Favored Glycine 0 CA--C 1.539 1.548 0 N-CA-C 114.921 0.729 . . . . 63.31 114.921 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.9 p -117.14 171.84 7.68 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.723 0.809 . . . . 73.43 111.322 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.84 -6.95 45.37 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.137 0.975 . . . . 74.41 112.798 171.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.533 ' HA3' ' HB3' ' B' ' 67' ' ' LYS . . . 98.56 153.97 28.72 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 112.518 -0.233 . . . . 71.25 112.518 -174.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' B' ' 29' ' ' GLN . 5.8 mp -127.62 159.1 35.69 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.641 0.776 . . . . 64.35 110.087 -175.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 67.0 p -81.24 168.92 17.96 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 116.367 -0.379 . . . . 70.23 110.716 170.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -50.67 -49.77 56.35 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 124.083 0.953 . . . . 55.33 111.755 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -61.59 -41.52 97.55 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 124.504 1.122 . . . . 75.44 112.449 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLN . . . . . 0.475 ' HB3' HD23 ' B' ' 25' ' ' LEU . 78.9 mt-30 -67.91 -41.24 82.98 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.334 0.654 . . . . 71.25 112.259 178.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.493 HG21 HG23 ' B' ' 15' ' ' ILE . 83.0 mt -64.81 -38.12 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 123.211 0.604 . . . . 73.23 110.894 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -56.9 -37.41 71.37 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 122.619 0.368 . . . . 61.23 111.873 175.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -71.7 -43.98 64.99 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 122.882 0.473 . . . . 65.23 111.577 174.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.66 -43.36 84.77 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.523 0.729 . . . . 51.41 112.63 -176.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 63.2 p -91.99 -19.07 22.79 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.397 1.079 . . . . 64.21 112.162 -176.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm 72.1 37.53 0.98 Allowed 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 125.184 1.394 . . . . 70.13 111.952 -175.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.532 HD21 HD22 ' B' ' 11' ' ' LEU . 78.0 mt -80.31 120.36 24.27 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 122.093 -0.379 . . . . 73.24 111.504 173.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -69.93 -58.38 3.92 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.974 0.91 . . . . 71.41 111.269 177.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.74 128.57 43.82 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.204 0.602 . . . . 63.42 111.281 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -65.55 -26.51 67.91 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.1 0.96 . . . . 74.31 111.625 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -37.66 67.43 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.98 0.912 . . . . 74.24 111.988 175.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -75.03 -37.23 61.8 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.642 0.777 . . . . 62.55 111.332 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -56.86 -43.32 81.07 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.528 0.731 . . . . 61.42 112.159 176.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -65.22 -33.19 75.41 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 112.834 0.679 . . . . 71.41 112.834 -177.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.72 -35.25 72.62 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.929 0.492 . . . . 64.32 111.001 174.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLY . . . . . 0.442 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -69.52 -47.33 50.88 Favored Glycine 0 CA--C 1.539 1.562 0 CA-C-N 116.522 -0.308 . . . . 71.34 113.06 174.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.9 tp -68.17 -29.71 68.64 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.333 1.053 . . . . 75.01 111.211 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.47 -31.33 68.34 Favored Glycine 0 N--CA 1.472 1.082 0 CA-C-N 115.42 -0.809 . . . . 30.1 111.707 174.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' TRP . . . . . 0.444 ' O ' ' HG2' ' B' ' 52' ' ' GLU . 10.7 t-105 -74.06 -30.7 62.52 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 123.854 0.862 . . . . 51.24 110.79 173.178 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.529 HD23 HG11 ' B' ' 55' ' ' VAL . 7.1 mp -63.35 -40.22 96.68 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.319 0.648 . . . . 63.31 111.172 170.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.76 -34.68 78.37 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.741 0.816 . . . . 73.44 111.529 172.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.574 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 11.2 ttt85 -58.58 -47.88 82.8 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.531 0.733 . . . . 73.02 111.247 171.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.501 ' HB2' ' HG2' ' B' ' 54' ' ' LYS . 50.7 mm-40 -79.26 -17.09 55.4 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 116.231 -0.44 . . . . 74.23 112.038 -175.161 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 62.03 27.05 16.36 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.611 1.164 . . . . 63.13 112.558 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.501 ' HG2' ' HB2' ' B' ' 52' ' ' GLU . 15.1 ptpt -91.27 -7.65 50.55 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.644 0.778 . . . . 75.34 112.318 -178.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.529 HG11 HD23 ' B' ' 49' ' ' LEU . 16.1 m -133.84 162.68 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 CA-C-O 121.631 0.729 . . . . 41.34 112.526 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.656 HG13 HG22 ' B' ' 69' ' ' VAL . 31.3 m -112.53 133.92 56.76 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 124.628 1.171 . . . . 52.44 110.278 166.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' THR . . . . . 0.515 ' HA ' HG12 ' B' ' 66' ' ' VAL . 74.9 p -103.93 144.04 32.05 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.559 0.744 . . . . 74.44 110.093 177.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 89.7 p -149.17 170.64 17.97 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.411 0.685 . . . . 71.04 110.278 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -116.85 120.87 39.85 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.12 0.968 . . . . 72.52 109.118 175.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 56.3 t -111.21 107.88 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.395 0.678 . . . . 73.34 109.62 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 52.27 40.29 28.8 Favored 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 125.304 1.442 . . . . 75.13 114.088 172.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.05 -7.15 67.02 Favored Glycine 0 CA--C 1.542 1.776 0 N-CA-C 115.038 0.775 . . . . 72.22 115.038 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -109.2 154.73 21.97 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 117.613 0.706 . . . . 70.33 111.148 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 58.2 mt -81.11 118.09 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 122.849 0.46 . . . . 52.25 110.107 175.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -114.92 130.06 56.83 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.71 -0.848 . . . . 74.31 108.71 172.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' B' ' 57' ' ' THR . 33.7 m -135.86 154.82 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 123.004 0.522 . . . . 64.23 111.121 -176.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.533 ' HB3' ' HA3' ' B' ' 24' ' ' GLY . 20.8 ptmt -160.69 -178.44 6.86 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.209 0.604 . . . . 70.12 110.134 176.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.632 HD11 ' HA ' ' B' ' 20' ' ' ASN . 14.5 mt -76.25 -179.19 4.91 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 112.516 0.561 . . . . 71.53 112.516 -175.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.656 HG22 HG13 ' B' ' 56' ' ' VAL . 4.4 t . . . . . 0 N--CA 1.495 1.786 0 C-N-CA 123.815 0.846 . . . . 75.15 110.427 168.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.484 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 8.7 mp . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.089 0.471 . . . . 74.12 111.384 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -74.94 -45.74 40.4 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.35 1.06 . . . . 72.15 110.774 172.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -71.9 -41.25 68.18 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 115.628 -0.714 . . . . 64.13 111.918 -173.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.484 ' HG2' ' HA ' ' A' ' 4' ' ' LEU . 20.2 ptmt -60.74 -37.25 81.13 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.629 0.371 . . . . 71.25 111.306 175.012 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 7' ' ' LYS . . . -61.44 -32.41 72.38 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.646 0.779 . . . . 61.43 110.852 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.32 -36.81 59.45 Favored Glycine 0 CA--C 1.537 1.469 0 CA-C-N 114.97 -1.014 . . . . 54.32 113.298 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.65 82.48 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.076 0.55 . . . . 60.01 111.17 175.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.07 -36.32 81.75 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.075 0.95 . . . . 71.12 110.593 175.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -58.97 -29.74 67.4 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.836 -0.62 . . . . 63.43 112.216 175.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.86 -54.98 29.49 Favored Glycine 0 CA--C 1.534 1.273 0 O-C-N 123.418 0.449 . . . . 35.44 113.156 174.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -74.96 -37.44 61.96 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 113.122 0.786 . . . . 63.52 113.122 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.584 HG23 HG21 ' A' ' 30' ' ' ILE . 83.0 mt -67.93 -41.33 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 123.195 0.598 . . . . 53.44 111.012 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -65.65 -41.86 92.08 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 122.829 0.452 . . . . 71.42 111.224 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -62.21 -29.55 70.46 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 112.397 0.517 . . . . 73.41 112.397 176.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.44 91.04 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 121.238 0.542 . . . . 72.23 110.925 172.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.527 ' HA ' HD13 ' A' ' 25' ' ' LEU . 51.4 mt -80.38 -23.71 40.27 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.466 1.106 . . . . 52.51 112.121 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -69.91 133.63 47.54 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.643 0.777 . . . . 73.42 111.516 -174.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.38 10.77 75.43 Favored Glycine 0 CA--C 1.538 1.525 0 CA-C-N 115.702 -0.681 . . . . 61.22 114.008 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 m -127.33 159.98 32.76 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.995 0.918 . . . . 75.33 110.645 -177.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -59.75 -30.03 68.56 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.452 1.101 . . . . 64.4 113.366 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.669 ' HA3' ' HG2' ' A' ' 67' ' ' LYS . . . 133.11 141.69 4.64 Favored Glycine 0 N--CA 1.477 1.405 0 N-CA-C 111.853 -0.499 . . . . 52.1 111.853 -171.455 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 19' ' ' LEU . 7.0 mp -123.68 153.36 40.92 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.329 0.652 . . . . 73.35 111.334 -170.315 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.7 p -84.89 -177.54 6.6 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.492 0.717 . . . . 75.13 110.454 171.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 42.4 mt-30 -57.07 -49.62 75.3 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 119.278 -0.392 . . . . 73.41 111.592 173.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -58.53 -43.0 89.06 Favored 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 123.519 0.728 . . . . 74.4 112.347 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.446 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 19.3 mm-40 -67.0 -44.65 79.84 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 115.883 -0.599 . . . . 74.15 111.98 -176.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.584 HG21 HG23 ' A' ' 15' ' ' ILE . 73.0 mt -67.55 -42.2 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 C-N-CA 122.666 0.386 . . . . 71.45 110.44 175.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 42.3 tttp -55.88 -35.67 66.76 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 125.367 1.467 . . . . 72.22 111.426 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -66.41 -52.31 47.93 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-N 114.989 -1.005 . . . . 74.3 111.061 172.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.49 -22.06 59.26 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 113.611 0.967 . . . . 51.43 113.611 -172.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.8 p -108.8 -19.02 13.56 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.717 0.807 . . . . 70.24 112.394 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm 67.97 32.39 5.12 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.441 1.096 . . . . 74.12 112.121 177.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.8 mt -87.87 96.55 10.52 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.733 0.413 . . . . 64.15 110.652 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -39.93 93.1 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 123.955 0.902 . . . . 72.55 111.637 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.35 119.95 33.88 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.742 0.817 . . . . 74.2 110.352 177.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -67.72 -24.4 65.37 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 122.673 0.389 . . . . 64.31 111.704 176.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -52.04 -41.61 62.44 Favored 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 123.865 0.866 . . . . 64.21 111.251 174.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -69.99 -44.27 69.72 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.405 1.082 . . . . 74.24 109.786 177.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.417 ' CE2' ' HG2' ' A' ' 27' ' ' GLN . 52.0 t80 -57.36 -44.0 83.97 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.791 1.236 . . . . 64.23 113.108 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -63.47 -32.78 74.32 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 123.455 0.702 . . . . 72.44 112.541 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.75 -43.38 93.51 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 122.923 0.489 . . . . 75.44 111.028 174.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.533 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -67.99 -48.92 51.25 Favored Glycine 0 C--N 1.35 1.354 0 CA-C-N 116.307 -0.406 . . . . 75.52 113.412 177.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.666 HD11 HG11 ' A' ' 66' ' ' VAL . 58.9 tp -65.15 -32.58 74.34 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.834 0.854 . . . . 73.12 111.482 178.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.79 -31.6 76.14 Favored Glycine 0 N--CA 1.47 0.959 0 CA-C-N 115.304 -0.862 . . . . 54.44 111.824 175.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.529 ' HA ' ' HB3' ' A' ' 51' ' ' ARG . 20.8 t-105 -74.55 -27.94 60.73 Favored 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 123.279 0.631 . . . . 75.21 110.721 174.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.556 HD23 HG11 ' A' ' 55' ' ' VAL . 6.6 mp -64.65 -39.09 93.08 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 123.018 0.527 . . . . 75.14 111.314 171.127 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.533 HD21 HG23 ' A' ' 57' ' ' THR . 68.5 mt -68.93 -35.39 76.74 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.902 0.481 . . . . 53.43 111.141 172.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.529 ' HB3' ' HA ' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -60.41 -42.13 95.35 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.073 0.949 . . . . 74.35 110.698 175.92 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -83.06 -11.51 57.97 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.272 0.629 . . . . 73.32 112.191 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 70.44 18.84 6.53 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 125.374 1.47 . . . . 74.13 112.464 -176.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -79.36 -14.93 58.65 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 113.782 1.03 . . . . 72.1 113.782 -174.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.556 HG11 HD23 ' A' ' 49' ' ' LEU . 32.7 m -132.88 154.2 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 N-CA-C 113.35 0.87 . . . . 72.13 113.35 -176.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -105.03 129.7 57.29 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 CA-C-N 114.686 -1.143 . . . . 73.43 109.201 171.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.533 HG23 HD21 ' A' ' 50' ' ' LEU . 15.5 p -101.69 134.21 45.19 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.746 0.784 . . . . 73.51 111.681 -176.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.3 t -146.01 171.63 14.58 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.199 1.4 . . . . 62.02 108.405 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -126.86 119.87 27.84 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.76 -0.459 . . . . 63.03 109.76 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.4 t -104.82 110.5 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.136 0.974 . . . . 75.54 109.821 178.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 51.37 42.1 28.83 Favored 'General case' 0 CA--C 1.564 1.514 0 C-N-CA 125.518 1.527 . . . . 73.3 113.677 170.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.18 8.34 61.54 Favored Glycine 0 CA--C 1.537 1.466 0 N-CA-C 115.274 0.869 . . . . 63.11 115.274 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -136.07 154.47 51.01 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 118.017 0.908 . . . . 53.24 110.777 176.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 61.6 mt -76.76 130.48 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 122.983 0.513 . . . . 74.52 110.857 -176.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -128.6 129.53 46.05 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.584 1.153 . . . . 73.12 109.766 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.666 HG11 HD11 ' A' ' 46' ' ' LEU . 25.7 m -131.6 151.07 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.332 0.653 . . . . 74.14 112.141 -175.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.669 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 38.6 mtmm -134.96 161.4 35.38 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.793 0.837 . . . . 73.15 109.671 176.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.0 mt -77.3 136.48 38.48 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 117.768 0.258 . . . . 70.12 111.514 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 122.012 0.911 . . . . 63.44 109.668 172.199 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 31.3 mmt . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 114.203 1.186 . . . . 64.54 114.203 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.65 -26.76 66.38 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.405 1.082 . . . . 73.01 111.929 -175.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -74.44 -38.46 63.0 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.039 0.447 . . . . 70.42 110.531 172.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -77.24 -39.18 49.36 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 112.781 0.66 . . . . 73.33 112.781 -173.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -26.34 68.52 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 118.05 0.387 . . . . 74.13 111.61 175.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.36 -41.46 84.79 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.516 0.726 . . . . 63.41 111.475 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.13 -35.44 64.27 Favored Glycine 0 CA--C 1.539 1.581 0 CA-C-N 115.794 -0.639 . . . . 64.31 114.427 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.27 -46.98 72.07 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 121.236 0.541 . . . . 65.53 111.307 177.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.439 HD13 ' HB3' ' B' ' 41' ' ' ASP . 88.6 mt -68.94 -30.44 68.89 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.612 0.765 . . . . 74.2 111.266 176.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.03 81.84 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.646 0.779 . . . . 60.43 111.774 174.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.33 -45.3 92.97 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-N 115.725 -0.671 . . . . 52.12 112.829 173.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.45 -50.48 63.19 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.731 0.812 . . . . 73.45 111.643 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.584 HG23 HG21 ' B' ' 30' ' ' ILE . 82.6 mt -60.65 -44.52 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 124.192 0.997 . . . . 75.2 111.784 -177.362 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -63.68 -43.39 96.81 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 116.156 -0.474 . . . . 75.44 111.309 177.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -64.2 -28.39 69.72 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 112.506 0.558 . . . . 65.3 112.506 177.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.99 89.05 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 121.181 0.515 . . . . 51.4 110.962 172.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.445 HD21 HD11 ' B' ' 30' ' ' ILE . 79.7 mt -79.48 -24.58 42.24 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.215 1.006 . . . . 75.14 111.966 177.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -68.21 126.89 30.98 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.005 0.922 . . . . 75.1 111.22 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.02 10.9 84.17 Favored Glycine 0 CA--C 1.54 1.602 0 CA-C-N 115.919 -0.582 . . . . 64.44 113.681 -174.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.6 m -126.42 159.33 33.6 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.821 0.848 . . . . 64.21 111.079 -175.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -66.19 -25.22 66.84 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.767 1.227 . . . . 53.44 113.076 175.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.47 145.76 6.73 Favored Glycine 0 C--N 1.348 1.21 0 N-CA-C 112.206 -0.358 . . . . 74.32 112.206 -171.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.45 HD23 ' HB3' ' B' ' 29' ' ' GLN . 4.8 mp -126.49 161.08 28.79 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.102 0.561 . . . . 74.31 110.523 -177.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 69.8 p -81.03 171.56 14.82 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 116.187 -0.46 . . . . 73.3 110.484 172.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -47.23 82.42 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 112.324 0.49 . . . . 73.44 112.324 -176.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -65.72 -41.32 92.43 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.268 0.627 . . . . 74.15 111.733 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLN . . . . . 0.45 ' HB3' HD23 ' B' ' 25' ' ' LEU . 50.3 mt-30 -58.44 -43.25 88.7 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.261 0.624 . . . . 70.33 111.902 179.169 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.584 HG21 HG23 ' B' ' 15' ' ' ILE . 73.9 mt -71.84 -46.45 60.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.245 0.618 . . . . 73.12 111.28 178.082 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -56.85 -33.13 66.49 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 123.254 0.622 . . . . 74.34 111.99 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -70.18 -53.14 18.43 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 123.272 0.629 . . . . 72.34 111.581 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.57 -48.69 79.8 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.657 0.783 . . . . 73.53 112.285 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.425 ' OG1' ' HG ' ' B' ' 36' ' ' LEU . 49.9 p -83.53 -12.82 55.73 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 124.329 1.052 . . . . 74.2 112.171 -179.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.1 38.57 2.64 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 125.246 1.418 . . . . 65.51 112.588 175.046 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' B' ' 41' ' ' ASP . 86.9 mt -65.39 148.9 50.9 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.617 0.767 . . . . 70.23 111.511 175.285 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -93.3 -50.99 5.2 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.2 0.6 . . . . 73.1 111.073 -178.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.73 157.91 17.1 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.616 0.766 . . . . 60.23 111.201 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.49 -32.51 73.98 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 115.336 -0.847 . . . . 61.41 110.09 165.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -59.66 -36.36 76.27 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.11 0.964 . . . . 73.31 112.078 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.47 ' HB3' HD22 ' B' ' 36' ' ' LEU . 66.3 m-20 -63.26 -34.92 78.72 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.454 0.702 . . . . 64.31 110.874 175.364 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -74.69 -40.08 61.58 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 115.592 -0.731 . . . . 74.33 111.807 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -66.42 -43.95 84.28 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 122.717 0.407 . . . . 63.32 111.925 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.51 -37.35 74.14 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.215 0.606 . . . . 71.33 110.714 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLY . . . . . 0.503 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -63.94 -56.62 17.58 Favored Glycine 0 CA--C 1.538 1.499 0 CA-C-N 116.369 -0.378 . . . . 74.24 113.246 176.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.85 -28.6 69.1 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 123.44 0.696 . . . . 65.22 110.486 177.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.09 -31.61 81.37 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 115.952 -0.567 . . . . 74.42 112.233 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' TRP . . . . . 0.481 ' HA ' ' HG3' ' B' ' 51' ' ' ARG . 12.9 t-105 -73.42 -34.34 65.4 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-O 120.924 0.392 . . . . 75.32 110.278 173.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.594 HD23 HG11 ' B' ' 55' ' ' VAL . 6.5 mp -62.3 -32.79 73.58 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.073 0.549 . . . . 71.15 111.283 171.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 84.2 mt -71.05 -38.84 72.53 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.322 0.649 . . . . 64.2 111.888 175.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.481 ' HG3' ' HA ' ' B' ' 48' ' ' TRP . 0.1 OUTLIER -74.39 -21.41 59.66 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.944 -0.473 . . . . 63.14 111.794 176.341 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -85.22 -16.16 41.18 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.725 0.41 . . . . 73.14 111.102 170.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 27.8 t70 67.5 22.49 9.26 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 125.246 1.418 . . . . 72.33 111.579 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -88.14 -6.85 57.65 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.118 0.784 . . . . 73.41 113.118 -176.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.594 HG11 HD23 ' B' ' 49' ' ' LEU . 33.4 m -134.18 161.7 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 CA-C-O 122.066 0.936 . . . . 75.25 112.969 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -129.63 130.34 66.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 113.937 -1.483 . . . . 65.12 108.466 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' THR . . . . . 0.67 HG22 HG12 ' B' ' 66' ' ' VAL . 76.2 p -105.01 132.05 51.75 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.498 0.719 . . . . 72.12 110.246 -170.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 50.3 p -139.42 163.75 31.7 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.085 0.954 . . . . 63.42 109.881 -175.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -109.65 119.31 39.01 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.614 0.366 . . . . 75.41 110.953 -176.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 73.6 t -110.1 109.33 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 108.803 -0.814 . . . . 74.55 108.803 169.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 54.45 50.88 15.18 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 125.029 1.332 . . . . 72.21 113.067 175.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.14 7.62 86.81 Favored Glycine 0 CA--C 1.54 1.615 0 N-CA-C 115.195 0.838 . . . . 64.24 115.195 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -122.66 156.9 33.4 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 117.841 0.82 . . . . 75.24 111.819 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 57.9 mt -80.99 116.26 24.99 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.066 0 CA-C-N 115.608 -0.724 . . . . 64.32 110.781 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -116.19 103.82 10.91 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.029 1.332 . . . . 75.22 108.693 177.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.67 HG12 HG22 ' B' ' 57' ' ' THR . 19.0 m -98.42 146.52 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 122.742 0.417 . . . . 72.21 110.23 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -153.96 154.85 34.54 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.963 0.505 . . . . 73.21 110.033 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.53 HD23 HG12 ' B' ' 55' ' ' VAL . 61.6 mt -68.56 150.13 48.39 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 118.048 0.386 . . . . 61.1 111.984 -176.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.484 1.243 0 CA-C-O 121.958 0.885 . . . . 61.0 109.626 175.106 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.9 mt . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 112.006 0.373 . . . . 74.33 112.006 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -65.15 -34.1 77.58 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 123.544 0.738 . . . . 74.24 111.008 173.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -68.91 -51.31 41.31 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.571 0.748 . . . . 72.14 111.175 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -22.54 62.87 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 112.277 0.473 . . . . 71.11 112.277 -175.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.68 -36.87 82.12 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.811 0.445 . . . . 74.14 110.689 169.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.11 -32.07 72.57 Favored Glycine 0 CA--C 1.538 1.519 0 CA-C-N 115.308 -0.86 . . . . 73.31 113.958 172.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.59 -45.42 75.57 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 122.986 0.515 . . . . 71.11 111.443 174.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.06 -39.47 89.99 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.534 0.734 . . . . 72.4 110.71 173.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.548 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -59.5 -43.12 93.42 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.848 0.859 . . . . 72.44 112.367 174.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.471 ' O ' ' HG2' ' A' ' 17' ' ' GLU . . . -57.19 -53.87 41.39 Favored Glycine 0 C--N 1.344 1.013 0 CA-C-N 115.069 -0.969 . . . . 64.35 113.771 -178.622 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -65.35 -32.81 74.65 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.401 0.519 . . . . 72.34 112.401 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.521 HG23 HG21 ' A' ' 30' ' ' ILE . 87.5 mt -68.14 -44.42 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 123.037 0.535 . . . . 73.23 111.053 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.455 ' NE1' ' HG2' ' A' ' 54' ' ' LYS . 51.9 t90 -66.49 -43.24 85.91 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 119.7 -0.191 . . . . 73.43 110.892 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 13' ' ' GLY . 44.4 mm-40 -64.83 -31.4 72.61 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 117.813 0.279 . . . . 71.35 111.203 178.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.66 -29.46 66.91 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.229 0.612 . . . . 75.33 111.694 173.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.5 mt -91.75 -10.94 38.22 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.664 0.786 . . . . 64.31 112.725 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -69.97 125.27 26.25 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 121.983 -0.448 . . . . 63.13 109.948 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.93 3.73 85.26 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-N 116.238 -0.437 . . . . 53.43 113.234 -174.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.9 p -112.39 152.73 28.29 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.473 0.709 . . . . 73.43 109.832 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -83.48 -7.27 59.57 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.009 0.524 . . . . 75.12 112.314 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.53 126.63 3.21 Favored Glycine 0 C--N 1.354 1.537 0 C-N-CA 123.014 0.34 . . . . 61.3 113.475 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mp -124.66 171.39 10.1 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.794 0.838 . . . . 72.13 110.804 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 65' ' ' PHE . 42.7 p -85.68 168.19 14.61 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.693 0.397 . . . . 65.32 110.478 176.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.442 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -65.43 -37.24 86.34 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 113.266 0.839 . . . . 75.42 113.266 -166.011 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -70.54 -32.31 69.69 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.714 0.806 . . . . 71.51 111.863 177.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -67.9 -41.33 82.85 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.257 0.623 . . . . 74.01 111.318 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.521 HG21 HG23 ' A' ' 15' ' ' ILE . 21.9 mt -67.67 -39.01 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 C-N-CA 122.879 0.472 . . . . 73.11 110.291 176.286 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -58.17 -32.71 68.49 Favored 'General case' 0 CA--C 1.559 1.327 0 C-N-CA 124.57 1.148 . . . . 75.52 111.333 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -66.5 -53.93 29.61 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.637 0.775 . . . . 74.33 111.299 169.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.66 -34.9 71.75 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.94 0.896 . . . . 60.03 112.568 -174.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.2 p -94.92 -18.55 21.02 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.274 1.029 . . . . 63.13 112.373 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 63.51 25.31 14.39 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 124.487 1.115 . . . . 70.41 112.613 -177.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.88 119.96 12.22 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.08 0.552 . . . . 74.23 110.306 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -71.71 -32.37 67.73 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 112.581 0.585 . . . . 74.14 112.581 -170.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.62 143.69 44.99 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 121.446 0.641 . . . . 71.55 110.681 173.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -66.85 -24.62 66.17 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.761 0.824 . . . . 53.54 110.662 170.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -61.27 -45.29 95.13 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.408 1.083 . . . . 74.44 113.023 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -75.74 -28.12 58.38 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.041 0.448 . . . . 55.52 110.771 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.442 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 81.6 t80 -58.97 -39.89 83.13 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.497 0.719 . . . . 60.35 111.165 167.073 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.56 ' HE2' ' HD2' ' B' ' 40' ' ' LYS . 22.0 m-85 -65.94 -32.95 74.74 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 122.758 0.423 . . . . 74.23 111.961 177.477 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -68.21 -39.25 82.44 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.994 0.517 . . . . 73.13 110.933 173.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.413 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -71.19 -62.13 3.65 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 116.337 -0.392 . . . . 54.21 113.38 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.459 HD11 HG11 ' A' ' 66' ' ' VAL . 58.0 tp -56.66 -34.2 67.12 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 124.364 1.066 . . . . 73.2 112.339 175.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.9 -32.48 82.85 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 116.122 -0.49 . . . . 54.21 112.458 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.548 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 38.1 t-105 -75.83 -24.32 55.81 Favored 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 123.16 0.584 . . . . 75.11 110.985 172.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.613 HD23 HG11 ' A' ' 55' ' ' VAL . 6.6 mp -67.42 -30.47 70.24 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.879 -0.513 . . . . 34.43 111.136 169.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.549 HD21 HG23 ' A' ' 57' ' ' THR . 89.7 mt -75.37 -33.98 61.09 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.63 0.772 . . . . 72.41 111.252 171.223 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.494 ' HG2' ' HA ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -55.75 -45.85 77.95 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.245 1.018 . . . . 72.2 109.922 170.447 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -77.37 -22.44 51.7 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 123.881 0.872 . . . . 72.33 111.18 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.0 t70 62.7 22.1 13.14 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.746 1.219 . . . . 73.42 110.727 -173.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.455 ' HG2' ' NE1' ' A' ' 16' ' ' TRP . 23.3 ttpp -88.93 1.96 54.59 Favored 'General case' 0 CA--C 1.565 1.552 0 C-N-CA 125.075 1.35 . . . . 44.44 112.199 -174.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.613 HG11 HD23 ' A' ' 49' ' ' LEU . 33.6 m -134.07 169.07 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 CA-C-O 121.444 0.64 . . . . 62.42 111.814 169.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.4 t -117.13 130.53 71.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 C-N-CA 124.897 1.279 . . . . 74.43 109.668 172.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.549 HG23 HD21 ' A' ' 50' ' ' LEU . 21.2 p -103.43 133.53 48.33 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.395 0.678 . . . . 73.03 110.864 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.0 t -144.27 169.75 17.3 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.256 1.022 . . . . 42.32 110.293 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.457 ' HB2' HD11 ' B' ' 4' ' ' LEU . 32.2 tt0 -114.31 114.78 26.39 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.97 0.908 . . . . 73.31 109.937 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.612 HG12 ' HG2' ' A' ' 61' ' ' GLU . 76.1 t -131.71 127.91 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 123.477 0.711 . . . . 64.24 109.648 174.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.612 ' HG2' HG12 ' A' ' 60' ' ' VAL . 10.8 mm-40 62.73 31.33 16.66 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.164 1.386 . . . . 72.51 112.46 176.083 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 73.05 20.53 80.0 Favored Glycine 0 C--N 1.354 1.575 0 CA-C-N 116.256 -0.429 . . . . 34.05 114.007 -178.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -136.37 162.87 31.84 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.127 0.571 . . . . 75.55 111.357 -177.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.407 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 56.0 mt -72.23 104.75 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.117 0 C-N-CA 123.574 0.75 . . . . 73.44 110.553 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.433 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 86.0 t80 -100.73 121.27 41.38 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.716 0.806 . . . . 74.03 109.377 173.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.459 HG11 HD11 ' A' ' 46' ' ' LEU . 22.7 m -124.66 156.93 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-O 121.563 0.697 . . . . 61.1 111.695 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -143.81 159.44 42.52 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 114.713 -1.13 . . . . 63.44 108.812 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.0 mt -73.92 158.8 33.77 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 118.201 0.455 . . . . 72.13 110.808 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 51.2 t . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 108.29 -1.004 . . . . 63.33 108.29 168.205 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 3' ' ' MET . . . . . 0.652 ' HB2' ' HG2' ' B' ' 6' ' ' GLU . 89.6 mmm . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.396 -0.224 . . . . 74.12 110.396 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.466 ' HB2' ' HB ' ' A' ' 57' ' ' THR . 8.3 mp -68.12 -17.88 64.48 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 122.975 0.51 . . . . 55.41 111.276 176.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -65.4 -43.51 90.38 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.075 0.95 . . . . 74.54 110.617 169.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.652 ' HG2' ' HB2' ' B' ' 3' ' ' MET . 11.3 mm-40 -74.76 -27.73 60.46 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 115.552 -0.749 . . . . 73.22 111.474 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.501 ' HZ3' HD21 ' B' ' 11' ' ' LEU . 5.9 tmtt? -62.26 -50.9 69.85 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 123.995 0.918 . . . . 73.43 109.109 174.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.11 -43.33 95.7 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.15 0.98 . . . . 64.45 112.052 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.31 -35.79 90.78 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 115.871 -0.604 . . . . 61.52 114.308 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.44 -32.3 71.17 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.371 0.669 . . . . 55.42 112.222 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.501 HD21 ' HZ3' ' B' ' 7' ' ' LYS . 89.8 mt -76.6 -28.21 56.08 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.153 0.581 . . . . 75.44 111.584 175.143 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.89 -55.7 29.47 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.054 1.131 . . . . 74.23 114.054 -174.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.4 -50.75 63.72 Favored Glycine 0 CA--C 1.537 1.449 0 N-CA-C 114.541 0.576 . . . . 71.04 114.541 -176.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -65.03 -36.95 86.0 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.679 0.792 . . . . 63.34 112.997 -178.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.9 -44.74 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 C-N-CA 122.805 0.442 . . . . 74.4 110.471 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -54.7 -45.27 73.98 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.743 0.817 . . . . 75.13 111.094 175.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.02 -25.93 66.53 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.921 0.888 . . . . 74.24 112.291 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.63 -40.21 76.67 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.791 0.436 . . . . 63.31 111.282 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.449 HD21 HG13 ' B' ' 66' ' ' VAL . 9.0 mp -79.37 -17.99 53.32 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.417 0.687 . . . . 52.13 112.121 176.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -67.28 127.09 31.34 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.725 0.41 . . . . 54.51 110.661 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.0 -18.33 46.53 Favored Glycine 0 CA--C 1.538 1.473 0 CA-C-N 116.174 -0.466 . . . . 75.44 112.672 -173.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 24.4 p -112.63 170.96 7.82 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.589 0.756 . . . . 71.21 110.249 174.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -107.29 21.4 17.57 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 122.864 0.466 . . . . 75.44 110.708 174.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.8 142.34 3.7 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-N 116.193 -0.458 . . . . 74.43 114.072 177.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 94.4 mt -137.74 160.8 38.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.443 1.097 . . . . 71.24 110.15 174.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 70.6 p -102.6 162.86 12.58 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.267 0.627 . . . . 64.11 110.509 173.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -59.77 -30.71 69.07 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 113.611 0.967 . . . . 72.32 113.611 -170.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -66.23 -41.49 89.98 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.061 0.944 . . . . 64.0 111.851 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -67.8 -41.66 82.8 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.493 0.717 . . . . 53.23 111.18 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 23.7 mt -72.88 -33.84 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 115.556 -0.747 . . . . 64.24 111.072 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -56.56 -47.34 79.68 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.406 1.083 . . . . 75.21 111.038 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -70.8 -38.84 73.34 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.559 0.744 . . . . 64.33 112.665 175.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.66 -51.46 62.46 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.243 0.617 . . . . 71.0 112.365 -176.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 70.7 p -87.08 -16.84 34.37 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.963 0.905 . . . . 72.13 111.997 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm 60.3 31.97 20.59 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 124.432 1.093 . . . . 74.41 113.035 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.65 152.34 31.04 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.386 0.675 . . . . 61.43 111.668 176.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -69.57 -41.43 75.84 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.042 0.537 . . . . 72.45 112.074 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.05 161.63 36.91 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.584 0.707 . . . . 43.02 112.082 -177.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -71.33 -26.05 62.66 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 115.085 -0.961 . . . . 72.41 110.797 170.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.56 ' HD2' ' HE2' ' A' ' 43' ' ' PHE . 34.2 mmtp -59.84 -45.44 92.4 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.337 1.055 . . . . 70.33 113.328 -178.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -75.87 -33.87 59.99 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.554 0.342 . . . . 61.51 110.342 177.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -54.66 -38.48 66.99 Favored 'General case' 0 CA--C 1.564 1.482 0 C-N-CA 123.693 0.797 . . . . 72.43 112.071 171.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -62.42 -34.69 77.25 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 122.844 0.457 . . . . 64.14 112.11 177.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.43 -36.04 71.14 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.383 0.673 . . . . 70.41 110.619 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLY . . . . . 0.445 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -66.22 -55.62 17.83 Favored Glycine 0 CA--C 1.538 1.515 0 CA-C-N 116.194 -0.457 . . . . 74.43 113.305 178.286 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.24 -28.66 68.9 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.319 0.647 . . . . 73.22 110.416 178.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.99 -37.8 94.7 Favored Glycine 0 C--N 1.347 1.184 0 CA-C-N 115.665 -0.698 . . . . 70.1 111.705 176.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' TRP . . . . . 0.54 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 33.1 t-105 -69.35 -29.49 67.31 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 122.777 0.431 . . . . 63.25 110.761 175.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.465 HD23 HG11 ' B' ' 55' ' ' VAL . 5.3 mp -64.41 -33.22 75.37 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 122.999 0.519 . . . . 71.42 111.492 171.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.0 mt -69.5 -35.47 75.56 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.56 0.744 . . . . 75.31 112.281 175.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' B' ' 48' ' ' TRP . 1.6 ppt_? -71.73 -29.35 64.44 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 118.172 0.442 . . . . 74.24 110.662 177.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -81.69 -12.3 58.7 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.94 0.896 . . . . 61.22 111.882 175.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 64.18 18.74 11.44 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 125.127 1.371 . . . . 73.41 112.249 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -86.38 -2.22 58.23 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.838 0.681 . . . . 72.04 112.838 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.604 ' HA ' ' H ' ' B' ' 69' ' ' VAL . 33.3 m -138.67 167.03 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 CA-C-O 121.908 0.861 . . . . 51.25 112.427 176.027 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 p -144.95 143.69 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 CA-C-N 114.132 -1.394 . . . . 55.3 109.137 171.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 73.7 p -109.27 149.47 29.39 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.394 0.677 . . . . 53.22 111.488 -170.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 66.7 m -146.84 170.53 16.85 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.495 1.118 . . . . 53.04 110.161 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -117.36 107.04 13.88 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.436 -0.579 . . . . 75.4 109.436 172.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 42.1 t -115.74 116.33 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 123.593 0.757 . . . . 75.2 109.571 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 58.51 31.46 21.03 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.614 1.166 . . . . 72.22 112.804 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.05 8.9 87.23 Favored Glycine 0 CA--C 1.542 1.765 0 N-CA-C 114.562 0.585 . . . . 62.33 114.562 -176.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -103.23 144.08 31.8 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.07 0.948 . . . . 73.05 111.702 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 54.3 mt -72.1 101.14 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-O 121.12 0.486 . . . . 72.52 109.715 170.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -103.26 101.68 11.62 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 123.941 0.896 . . . . 64.25 110.315 -174.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.449 HG13 HD21 ' B' ' 19' ' ' LEU . 7.4 p -106.17 138.81 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 123.721 0.808 . . . . 63.53 110.088 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.09 149.46 35.1 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 112.236 0.458 . . . . 75.31 112.236 -173.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.439 HD23 HG12 ' B' ' 55' ' ' VAL . 42.7 mt -71.06 78.08 0.67 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.557 0.743 . . . . 72.15 112.251 -175.267 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.604 ' H ' ' HA ' ' B' ' 55' ' ' VAL . 13.6 p . . . . . 0 N--CA 1.497 1.908 0 C-N-CA 126.442 1.897 . . . . 65.25 113.223 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.401 HD22 ' HD2' ' A' ' 7' ' ' LYS . 2.1 tm? . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 121.162 0.506 . . . . 62.34 109.967 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -67.71 -36.76 81.2 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.548 0.739 . . . . 74.24 111.416 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -68.49 -42.5 78.54 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.763 0.653 . . . . 72.42 112.763 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -66.99 -41.83 86.07 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 117.58 0.173 . . . . 72.2 111.347 177.794 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.78 87.01 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.34 0.656 . . . . 75.03 111.181 177.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.44 -38.09 79.65 Favored Glycine 0 CA--C 1.536 1.395 0 CA-C-N 115.081 -0.963 . . . . 74.23 113.795 175.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.37 -51.4 60.69 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.619 0.768 . . . . 34.44 111.713 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 67.2 mt -61.01 -32.94 72.52 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.984 0.914 . . . . 63.21 111.216 178.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -60.29 -40.72 91.47 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.778 0.831 . . . . 52.21 113.152 177.347 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.83 -49.85 74.08 Favored Glycine 0 CA--C 1.535 1.334 0 CA-C-N 115.944 -0.571 . . . . 71.23 114.339 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -68.6 -36.79 79.17 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.153 0.581 . . . . 72.42 112.11 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.565 HG23 HG21 ' A' ' 30' ' ' ILE . 74.9 mt -64.65 -44.86 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 C-N-CA 123.077 0.551 . . . . 42.41 111.391 178.32 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -61.53 -45.91 92.21 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.017 0.527 . . . . 75.4 111.465 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -65.15 -39.46 93.02 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 123.808 0.843 . . . . 64.22 110.795 -176.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.33 -33.32 75.69 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.384 0.674 . . . . 73.42 111.974 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.0 mt -85.67 -15.37 42.56 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.887 0.875 . . . . 70.01 112.281 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -66.76 119.22 11.45 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 122.738 0.415 . . . . 55.24 111.554 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.45 12.29 83.94 Favored Glycine 0 CA--C 1.54 1.635 0 CA-C-N 115.827 -0.624 . . . . 70.13 113.864 -173.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.605 HG22 ' H ' ' A' ' 24' ' ' GLY . 15.1 m -106.33 147.11 29.58 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.583 0.753 . . . . 54.54 110.459 178.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.24 -33.38 70.95 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 123.6 0.76 . . . . 73.41 111.997 174.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.605 ' H ' HG22 ' A' ' 22' ' ' THR . . . 140.97 141.98 4.07 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-N 115.276 -0.875 . . . . 63.24 110.928 -174.022 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 95.2 mt -129.04 151.64 49.51 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 117.704 0.752 . . . . 73.12 110.434 -178.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.0 p -74.2 164.15 26.97 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 110.3 -0.259 . . . . 70.22 110.3 173.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.482 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 20.3 pt20 -54.07 -33.49 57.66 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.206 0.603 . . . . 73.01 112.349 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 53.6 mtpt -69.04 -47.23 65.91 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.001 0.921 . . . . 71.25 112.204 174.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.463 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 86.6 mm-40 -65.04 -41.39 95.25 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.662 0.785 . . . . 64.32 112.83 -176.057 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.565 HG21 HG23 ' A' ' 15' ' ' ILE . 70.2 mt -60.82 -47.18 94.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.252 0.621 . . . . 64.34 111.453 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 27' ' ' GLN . 32.5 mtmm -62.35 -26.55 68.51 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 112.998 0.74 . . . . 73.35 112.998 -176.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -69.79 -50.48 42.62 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-O 120.481 0.181 . . . . 71.24 110.53 173.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.43 -33.12 75.21 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.47 0.708 . . . . 62.14 112.708 -177.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.4 p -88.74 -18.71 27.23 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.266 1.026 . . . . 73.01 112.168 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm 69.16 35.89 2.57 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 125.184 1.394 . . . . 74.03 111.448 -177.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt -71.95 160.59 32.26 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.387 0.675 . . . . 71.42 111.687 171.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -89.34 -52.6 4.96 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.418 0.687 . . . . 73.04 111.972 -176.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.88 163.54 32.37 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.438 0.695 . . . . 54.34 111.393 -170.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -64.08 -27.31 69.01 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 116.077 -0.51 . . . . 72.15 111.419 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -53.66 -50.79 65.02 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.428 1.091 . . . . 70.33 113.138 177.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -74.45 -29.98 61.7 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.778 0.431 . . . . 63.32 111.092 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -59.53 -39.2 83.12 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.895 0.478 . . . . 74.22 111.956 172.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -63.37 -31.83 73.1 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 123.123 0.569 . . . . 71.33 112.021 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -74.16 -40.9 62.26 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.248 0.619 . . . . 74.33 111.339 174.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.426 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -65.36 -58.38 9.6 Favored Glycine 0 C--N 1.352 1.419 0 O-C-N 123.14 0.275 . . . . 64.12 113.202 176.54 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.0 tp -57.9 -35.59 71.25 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.121 0.968 . . . . 65.42 112.155 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.38 -31.73 81.84 Favored Glycine 0 N--CA 1.477 1.407 0 CA-C-O 121.362 0.423 . . . . 73.51 112.298 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.488 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 39.0 t-105 -71.9 -40.28 68.98 Favored 'General case' 0 CA--C 1.558 1.267 0 CA-C-N 115.204 -0.498 . . . . 64.22 110.242 171.381 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.69 HD23 HG11 ' A' ' 55' ' ' VAL . 6.4 mp -58.03 -31.0 66.58 Favored 'General case' 0 N--CA 1.499 1.985 0 C-N-CA 123.33 0.652 . . . . 71.31 111.978 174.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.0 mt -67.59 -44.95 76.92 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.231 0.612 . . . . 74.33 111.324 174.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HG3' ' HA ' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -73.66 -18.54 61.01 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 111.914 0.338 . . . . 61.24 111.914 177.144 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -83.71 -17.98 39.48 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.851 0.86 . . . . 72.31 111.201 174.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 63.72 17.73 10.65 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 125.022 1.329 . . . . 72.14 112.672 176.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -99.53 9.41 43.26 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.671 0.788 . . . . 62.25 112.37 -173.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.69 HG11 HD23 ' A' ' 49' ' ' LEU . 29.4 m -134.74 161.7 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 N-CA-C 113.409 0.892 . . . . 72.22 113.409 174.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.1 p -143.13 132.75 21.34 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 CA-C-N 114.153 -1.385 . . . . 73.45 109.508 167.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 60.1 p -110.06 131.19 55.28 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 121.06 0.457 . . . . 73.54 111.251 -169.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.532 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 14.9 m -85.9 143.97 27.92 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.23 1.012 . . . . 71.23 109.723 173.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -96.55 103.05 14.93 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 109.237 -0.653 . . . . 64.24 109.237 174.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.6 t -109.64 105.01 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 116.006 -0.543 . . . . 64.45 109.571 178.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 42.4 45.52 3.79 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 125.41 1.484 . . . . 74.52 114.51 177.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.3 8.39 83.6 Favored Glycine 0 CA--C 1.542 1.741 0 N-CA-C 115.065 0.786 . . . . 45.3 115.065 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -113.68 145.22 41.66 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.312 1.045 . . . . 71.12 111.138 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.3 mt -82.3 124.42 39.22 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 123.54 0.736 . . . . 73.44 109.986 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.532 ' HB3' ' HB2' ' A' ' 58' ' ' SER . 73.6 t80 -119.22 103.36 9.44 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.031 0.932 . . . . 75.33 108.953 176.184 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.1 t -94.33 131.61 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 O-C-N 121.571 -0.706 . . . . 60.22 111.496 -168.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -123.98 148.51 46.89 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.512 0.725 . . . . 74.31 109.068 175.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.446 HD23 HG12 ' A' ' 55' ' ' VAL . 38.8 mt -85.0 141.02 30.61 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 118.096 0.407 . . . . 60.11 111.304 175.239 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 CA--C 1.551 0.987 0 C-N-CA 123.155 0.582 . . . . 75.21 109.451 167.305 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' MET . . . . . 0.478 ' HG3' ' H ' ' B' ' 5' ' ' LYS . 11.5 tpt . . . . . 0 CA--C 1.554 1.123 0 CA-C-O 121.249 0.547 . . . . 63.11 112.069 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 mp -56.89 -43.06 80.94 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.768 0.827 . . . . 70.42 110.938 172.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.514 ' HZ3' ' HH2' ' B' ' 48' ' ' TRP . 24.5 ttmm -56.47 -44.84 80.98 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.123 0.969 . . . . 74.15 112.138 171.118 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -57.86 -55.91 28.81 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.036 0.934 . . . . 73.41 111.886 -175.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -34.19 77.65 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.087 -0.506 . . . . 71.14 111.828 177.381 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.08 92.41 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 123.908 0.883 . . . . 61.11 112.472 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.54 -39.58 90.96 Favored Glycine 0 CA--C 1.534 1.268 0 CA-C-N 116.06 -0.518 . . . . 34.25 113.567 177.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.1 75.17 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.341 0.657 . . . . 34.02 111.769 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 69.7 mt -74.85 -31.85 61.74 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.786 0.835 . . . . 63.45 111.753 175.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.44 -53.46 50.96 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.768 0.827 . . . . 53.21 113.018 -177.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.83 -31.49 76.05 Favored Glycine 0 CA--C 1.54 1.618 0 CA-C-N 115.752 -0.658 . . . . 64.5 114.309 176.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -74.14 -49.62 22.95 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.441 0.697 . . . . 75.51 112.018 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.13 -38.01 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 C-N-CA 123.368 0.667 . . . . 75.13 110.264 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -58.65 -48.3 81.52 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.91 0.884 . . . . 75.04 110.653 173.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.77 -39.2 87.91 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.224 1.01 . . . . 72.02 111.786 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.89 -33.39 75.6 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.302 0.641 . . . . 71.33 111.809 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 90.6 mt -86.5 -20.16 28.47 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.802 0.841 . . . . 62.31 112.473 177.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -68.19 119.62 13.05 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.637 0.375 . . . . 52.21 110.83 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.99 7.37 70.56 Favored Glycine 0 CA--C 1.538 1.494 0 N-CA-C 114.617 0.607 . . . . 72.21 114.617 -177.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 53.8 p -117.33 165.2 13.76 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.412 0.685 . . . . 72.43 110.815 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -84.59 -10.28 57.53 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.398 0.679 . . . . 73.54 110.572 173.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.02 145.6 4.7 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 115.936 -0.575 . . . . 54.21 112.281 -176.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 90.7 mt -133.34 159.4 40.38 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.456 0.702 . . . . 73.34 110.735 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 42.5 p -84.83 161.6 19.87 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.253 0.621 . . . . 75.23 110.809 174.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -54.13 -37.79 64.74 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.556 0.742 . . . . 64.33 112.789 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -60.32 -52.61 64.54 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.742 0.817 . . . . 72.53 112.294 174.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -70.73 -31.93 68.94 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 112.854 0.686 . . . . 74.55 112.854 -172.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.73 -41.84 93.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.137 0.575 . . . . 72.02 111.286 176.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -59.63 -31.41 69.48 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 112.434 0.531 . . . . 62.33 112.434 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.55 -52.02 55.53 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 109.434 -0.58 . . . . 74.51 109.434 176.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.02 -29.34 66.37 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.991 0.737 . . . . 71.21 112.991 -175.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 69.9 p -83.45 -17.86 40.63 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.637 0.775 . . . . 52.2 112.795 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? 72.89 39.33 0.66 Allowed 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 124.758 1.223 . . . . 74.22 109.011 -174.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 93.9 mt -103.44 -177.97 3.53 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.492 1.117 . . . . 71.21 110.784 167.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -148.92 -28.02 0.29 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.674 0.79 . . . . 73.22 111.304 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.26 130.87 45.58 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.706 0.802 . . . . 74.14 111.191 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.18 -22.99 65.25 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.794 0.837 . . . . 54.41 111.68 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -50.67 -54.52 22.34 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.914 1.285 . . . . 73.25 113.071 174.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.38 -33.06 73.58 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.532 0.733 . . . . 73.43 110.744 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -62.34 -41.74 98.82 Favored 'General case' 0 CA--C 1.562 1.409 0 CA-C-N 115.431 -0.804 . . . . 71.22 112.07 175.049 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -65.31 -40.44 93.77 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 122.722 0.409 . . . . 74.03 111.814 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -74.09 -28.71 61.5 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 122.97 0.508 . . . . 71.01 111.697 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLY . . . . . 0.496 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -72.63 -63.43 2.89 Favored Glycine 0 C--N 1.353 1.514 0 N-CA-C 112.771 -0.132 . . . . 54.04 112.771 173.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 50.2 tp -53.02 -43.6 66.68 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.94 1.296 . . . . 71.2 113.044 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.99 -30.97 79.43 Favored Glycine 0 N--CA 1.476 1.343 0 CA-C-N 115.87 -0.605 . . . . 64.33 113.101 -176.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' TRP . . . . . 0.514 ' HH2' ' HZ3' ' B' ' 5' ' ' LYS . 32.1 t-105 -69.12 -33.66 73.82 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 123.563 0.745 . . . . 73.33 111.08 175.304 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.496 HD13 ' O ' ' B' ' 45' ' ' GLY . 3.7 mp -68.25 -29.06 67.78 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.706 0.803 . . . . 73.24 111.536 177.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.589 HD21 HG23 ' B' ' 57' ' ' THR . 96.6 mt -65.09 -34.95 79.64 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.721 0.809 . . . . 54.02 111.999 175.167 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' B' ' 48' ' ' TRP . 7.2 ptt180 -65.85 -34.53 78.36 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.191 0.52 . . . . 64.21 111.582 179.072 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -92.87 -8.3 43.81 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.738 0.815 . . . . 74.55 111.688 178.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 62.23 31.45 17.56 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 124.491 1.117 . . . . 75.53 112.344 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.437 ' HE3' ' HG ' ' B' ' 49' ' ' LEU . 48.0 mtmt -79.91 -16.89 54.39 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.602 0.761 . . . . 63.13 111.294 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.517 HG12 HD23 ' B' ' 68' ' ' LEU . 33.7 m -134.74 164.11 34.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 123.761 0.824 . . . . 74.21 111.298 179.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.2 p -133.32 133.87 57.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-N 115.004 -0.998 . . . . 63.3 109.549 173.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' THR . . . . . 0.658 ' HA ' HG12 ' B' ' 66' ' ' VAL . 60.9 p -104.4 143.79 32.52 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.94 0.896 . . . . 72.42 111.474 -169.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 34.3 t -146.35 166.6 25.83 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.523 0.729 . . . . 64.44 110.693 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -112.99 104.97 12.93 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.912 0.885 . . . . 64.44 109.887 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 48.5 t -121.54 122.44 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 123.543 0.737 . . . . 75.04 111.202 -176.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 51.64 37.12 19.1 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.336 1.454 . . . . 71.42 113.867 172.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.61 -3.88 68.73 Favored Glycine 0 CA--C 1.536 1.392 0 N-CA-C 115.34 0.896 . . . . 44.14 115.34 174.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -138.68 174.35 10.62 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.38 1.09 . . . . 70.53 112.38 177.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 55.0 mt -79.56 122.42 34.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 C-N-CA 123.602 0.761 . . . . 74.55 111.346 -173.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -121.25 118.97 30.93 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.339 1.056 . . . . 62.41 109.008 177.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.658 HG12 ' HA ' ' B' ' 57' ' ' THR . 32.6 m -130.84 160.93 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.739 0.816 . . . . 75.52 111.424 -170.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.63 162.93 40.52 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 122.737 0.415 . . . . 42.4 110.821 177.008 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.517 HD23 HG12 ' B' ' 55' ' ' VAL . 63.5 mt -69.22 135.73 50.98 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.744 0.418 . . . . 61.15 111.414 178.065 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 CA--C 1.548 0.869 0 N-CA-C 109.825 -0.435 . . . . 72.21 109.825 171.019 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.494 1.766 0 N-CA-C 113.075 0.769 . . . . 72.42 113.075 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -60.99 -41.33 96.26 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.625 0.77 . . . . 74.03 111.308 168.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -68.21 -38.38 81.88 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 124.166 0.987 . . . . 73.04 111.599 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.487 ' HZ3' HD21 ' A' ' 11' ' ' LEU . 10.4 tmtt? -66.3 -50.45 63.61 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.668 0.787 . . . . 54.4 109.823 178.321 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.37 -34.03 74.63 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.853 0.861 . . . . 64.22 111.952 175.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.29 -32.57 76.16 Favored Glycine 0 CA--C 1.543 1.831 0 CA-C-N 116.067 -0.515 . . . . 61.23 114.36 174.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.37 -38.93 71.53 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.226 0.61 . . . . 65.2 111.136 174.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.487 HD21 ' HZ3' ' A' ' 7' ' ' LYS . 74.3 mt -64.29 -36.28 83.59 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.235 -0.893 . . . . 75.41 110.942 172.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -63.57 -46.6 85.16 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.454 0.701 . . . . 73.41 112.504 177.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.41 -48.22 87.05 Favored Glycine 0 CA--C 1.535 1.31 0 O-C-N 123.91 0.756 . . . . 32.42 114.102 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -67.16 -35.72 80.3 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 123.325 0.65 . . . . 64.42 112.438 -179.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.0 mt -72.74 -42.1 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.322 0.649 . . . . 74.12 111.158 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 71.6 t90 -64.62 -49.34 71.46 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.269 0.628 . . . . 73.01 110.42 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -68.53 -23.07 64.49 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.522 0.729 . . . . 75.23 112.577 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.03 -34.89 79.04 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.989 -0.444 . . . . 62.13 111.534 171.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.611 HD11 HG12 ' A' ' 30' ' ' ILE . 8.4 mp -102.34 -9.65 20.16 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 114.088 1.144 . . . . 73.24 114.088 -177.324 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -65.37 127.16 30.65 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 119.745 1.157 . . . . 75.33 111.599 -176.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.42 20.2 57.17 Favored Glycine 0 CA--C 1.543 1.794 0 CA-C-N 116.094 -0.503 . . . . 63.4 113.978 -173.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.2 p -131.07 174.61 9.85 Favored 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 123.411 0.684 . . . . 74.54 110.605 176.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -13.08 50.07 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.756 0.822 . . . . 54.02 112.606 176.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.61 142.81 5.73 Favored Glycine 0 C--N 1.352 1.449 0 N-CA-C 113.642 0.217 . . . . 55.23 113.642 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.479 HD23 ' HG ' ' A' ' 19' ' ' LEU . 3.3 mm? -126.66 167.25 15.96 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 124.068 0.947 . . . . 65.23 111.191 -178.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.6 p -91.93 169.64 10.51 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.033 0.533 . . . . 63.12 110.84 174.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -55.33 -33.02 62.99 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.367 0.667 . . . . 63.41 111.972 177.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -56.29 -52.08 65.84 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.61 0.764 . . . . 64.53 112.422 175.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.461 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 1.8 mp0 -67.74 -39.05 84.25 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.948 0.499 . . . . 73.31 111.414 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.611 HG12 HD11 ' A' ' 19' ' ' LEU . 64.1 mt -64.77 -44.85 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.011 0.525 . . . . 53.53 110.803 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -66.94 -32.59 73.94 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.024 0.93 . . . . 75.44 111.624 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -68.85 -46.62 68.02 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.204 0.602 . . . . 75.01 110.08 176.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.68 -50.1 59.44 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.441 0.696 . . . . 60.01 111.938 -177.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 79.5 p -73.37 -24.6 60.34 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.217 1.007 . . . . 75.24 111.891 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt 66.51 29.0 9.28 Favored 'General case' 0 CA--C 1.57 1.733 0 C-N-CA 124.908 1.283 . . . . 71.2 110.833 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 pp -76.67 162.14 27.96 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.914 -0.491 . . . . 62.33 111.737 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -103.8 -58.19 1.92 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.1 0.56 . . . . 72.13 111.621 -175.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.79 147.69 22.8 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 121.221 0.534 . . . . 70.04 112.263 -171.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -59.83 -33.06 71.27 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.643 -0.708 . . . . 64.43 110.489 168.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -55.88 -53.16 60.21 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.231 1.412 . . . . 64.41 113.831 -175.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -73.3 -27.52 61.59 Favored 'General case' 0 N--CA 1.483 1.225 0 CA-C-O 120.713 0.292 . . . . 72.02 110.718 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -59.02 -41.25 87.33 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 123.013 0.525 . . . . 73.21 111.241 170.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.62 -32.52 73.28 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 112.549 0.574 . . . . 74.42 112.549 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -71.77 -31.49 66.69 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 122.503 0.321 . . . . 71.03 111.29 174.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.437 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -75.06 -62.3 2.81 Favored Glycine 0 C--N 1.353 1.483 0 CA-C-N 116.619 -0.264 . . . . 44.33 113.246 175.022 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.568 HD11 HG21 ' A' ' 66' ' ' VAL . 58.5 tp -59.6 -33.55 71.61 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.271 1.029 . . . . 63.35 112.168 177.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.21 -31.23 74.3 Favored Glycine 0 N--CA 1.472 1.079 0 CA-C-N 115.821 -0.627 . . . . 62.32 112.322 176.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.597 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 29.1 t-105 -70.34 -33.61 71.68 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 122.613 0.365 . . . . 63.12 110.318 172.194 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 45' ' ' GLY . 6.8 mp -65.51 -33.02 74.96 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.088 0.555 . . . . 74.33 111.528 173.233 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.3 mt -68.49 -43.21 77.36 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.534 0.733 . . . . 73.21 111.372 173.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.939 ' HB2' ' HB3' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -73.52 -18.43 61.09 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 120.857 0.36 . . . . 70.53 111.886 179.033 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.505 ' HB3' ' NZ ' ' A' ' 54' ' ' LYS . 45.2 mm-40 -93.0 -6.31 48.66 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.987 0.915 . . . . 61.13 112.144 173.423 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 63.35 13.44 7.05 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 125.001 1.32 . . . . 65.1 112.923 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.505 ' NZ ' ' HB3' ' A' ' 52' ' ' GLU . 28.1 mtmm -95.16 16.68 15.87 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.585 0.754 . . . . 75.53 112.855 -174.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.421 HG12 HD23 ' A' ' 68' ' ' LEU . 17.4 m -138.13 153.84 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 113.786 1.032 . . . . 74.22 113.786 170.615 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.7 t -113.17 124.67 70.04 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-N 114.11 -1.405 . . . . 62.51 108.638 163.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.5 p -103.2 150.62 23.52 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.19 0.596 . . . . 63.14 111.774 -175.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.8 t -158.29 172.78 17.75 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.573 1.149 . . . . 43.43 110.325 -175.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -121.97 123.31 41.37 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.979 0.512 . . . . 72.0 110.995 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.3 t -114.92 114.11 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 123.907 0.883 . . . . 74.24 110.174 171.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 58.45 35.69 24.88 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 124.484 1.114 . . . . 64.51 112.934 173.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.91 9.9 86.22 Favored Glycine 0 N--CA 1.481 1.648 0 N-CA-C 114.152 0.421 . . . . 62.4 114.152 -177.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -114.02 144.78 42.55 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.963 0.905 . . . . 72.13 110.373 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.7 mt -70.93 106.24 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 122.883 0.473 . . . . 72.53 110.763 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -100.88 137.68 38.94 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.083 0.953 . . . . 73.21 109.49 174.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.568 HG21 HD11 ' A' ' 46' ' ' LEU . 9.5 p -140.81 152.3 20.58 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 O-C-N 122.081 -0.387 . . . . 75.13 111.459 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.44 146.9 48.69 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.403 0.681 . . . . 53.33 109.894 176.091 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.421 HD23 HG12 ' A' ' 55' ' ' VAL . 45.0 mt -82.82 136.48 34.63 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 112.446 0.535 . . . . 74.22 112.446 -177.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.9 t . . . . . 0 CA--C 1.552 1.028 0 N-CA-C 107.645 -1.243 . . . . 72.42 107.645 157.447 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 95.7 mmm . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 113.547 0.944 . . . . 63.22 113.547 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.26 -17.11 64.23 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.717 0.807 . . . . 73.52 111.868 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -68.59 -43.54 76.27 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.833 0.853 . . . . 74.11 111.181 171.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -69.27 -33.32 73.04 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 115.838 -0.619 . . . . 75.3 110.876 177.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -63.61 -44.19 94.69 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 124.364 1.066 . . . . 62.53 110.303 172.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.07 -36.09 78.68 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 123.61 0.764 . . . . 53.53 111.846 173.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.71 -34.59 78.44 Favored Glycine 0 C--N 1.352 1.44 0 CA-C-N 115.883 -0.599 . . . . 74.32 113.41 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.91 -38.56 91.38 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.293 0.637 . . . . 73.01 111.007 175.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 69.4 mt -66.86 -41.26 87.62 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.253 -0.885 . . . . 73.51 111.018 174.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.06 -46.06 82.75 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.584 0.753 . . . . 72.24 112.793 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.89 -52.71 50.65 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-N 115.826 -0.624 . . . . 60.02 114.358 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -66.33 -40.54 89.95 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.178 0.591 . . . . 75.14 112.26 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.465 HD12 ' HA3' ' B' ' 45' ' ' GLY . 97.1 mt -65.17 -42.73 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 123.39 0.676 . . . . 73.2 111.081 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' TRP . . . . . 0.403 ' CD1' ' HD3' ' B' ' 54' ' ' LYS . 81.1 t90 -61.07 -39.66 90.74 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 116.554 -0.294 . . . . 74.34 111.244 175.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.44 -25.55 66.79 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 112.854 0.687 . . . . 75.24 112.854 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.33 -36.37 83.85 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 121.021 0.438 . . . . 72.32 110.66 169.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.528 HD21 HG23 ' B' ' 66' ' ' VAL . 9.2 mp -85.61 -18.52 33.06 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.952 0.901 . . . . 75.51 112.564 177.148 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -64.33 122.03 15.72 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.665 0.786 . . . . 75.5 111.701 -174.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.87 -28.19 17.14 Favored Glycine 0 CA--C 1.536 1.373 0 CA-C-N 116.033 -0.53 . . . . 75.15 112.886 -174.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.2 m -101.26 172.45 6.99 Favored 'General case' 0 CA--C 1.564 1.493 0 C-N-CA 124.174 0.99 . . . . 60.35 109.767 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -106.17 -1.08 24.07 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.158 0.583 . . . . 62.43 112.105 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.89 132.36 1.33 Allowed Glycine 0 C--N 1.36 1.896 0 N-CA-C 114.298 0.479 . . . . 65.03 114.298 -173.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' B' ' 19' ' ' LEU . 7.4 mp -128.17 161.1 30.07 Favored 'General case' 0 N--CA 1.5 2.029 0 C-N-CA 124.055 0.942 . . . . 73.42 110.844 176.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 27.7 p -86.12 158.93 19.67 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 116.243 -0.435 . . . . 74.34 109.884 170.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -55.8 -42.84 76.21 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.257 0.623 . . . . 72.44 111.503 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -59.2 -41.36 88.35 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.664 0.786 . . . . 64.32 112.141 177.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -65.48 -41.8 92.92 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.453 0.701 . . . . 72.14 111.517 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.6 mt -67.02 -45.9 85.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 115.41 -0.813 . . . . 64.45 110.72 -178.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.471 ' HA ' HD23 ' B' ' 36' ' ' LEU . 9.3 mtpm? -61.22 -28.22 69.0 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.89 0.876 . . . . 61.43 111.964 177.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -70.27 -47.29 61.9 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 123.078 0.551 . . . . 71.33 111.469 171.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.64 -45.9 67.41 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.416 0.686 . . . . 34.12 112.784 -175.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 10.9 p -82.37 -19.05 39.96 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.401 1.08 . . . . 75.11 112.308 178.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt 60.46 56.66 3.06 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.006 0.923 . . . . 73.52 112.06 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.53 HD12 ' HB2' ' B' ' 41' ' ' ASP . 2.4 pt? -121.74 140.67 52.03 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 115.946 -0.57 . . . . 72.04 110.685 175.168 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -84.98 -48.78 8.91 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.477 0.711 . . . . 64.22 110.783 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.73 118.89 13.16 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-O 121.324 0.583 . . . . 63.02 112.404 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.66 -27.05 68.4 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.025 0.93 . . . . 74.33 110.988 171.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.401 ' O ' HD13 ' B' ' 44' ' ' LEU . 72.0 mmtt -54.8 -50.71 67.86 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.904 1.281 . . . . 34.43 111.901 -177.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.53 ' HB2' HD12 ' B' ' 36' ' ' LEU . 5.8 m-20 -63.27 -30.68 71.78 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.664 0.786 . . . . 60.35 112.003 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -61.47 -45.52 93.9 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.61 0.364 . . . . 54.41 110.889 172.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -67.51 -38.35 84.16 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.056 0.542 . . . . 73.33 111.932 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.401 HD13 ' O ' ' B' ' 40' ' ' LYS . 9.4 mp -63.82 -47.34 81.2 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.704 0.802 . . . . 70.31 111.362 177.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLY . . . . . 0.474 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -66.39 -43.65 92.16 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-N 116.173 -0.467 . . . . 55.24 113.143 176.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.16 -31.95 73.23 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.068 0.947 . . . . 61.42 111.62 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.0 -31.38 72.39 Favored Glycine 0 N--CA 1.472 1.052 0 CA-C-N 115.721 -0.672 . . . . 51.23 112.223 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' TRP . . . . . 0.51 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 26.5 t-105 -72.03 -36.53 69.7 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.209 0.604 . . . . 64.54 110.499 173.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.561 HD23 HG11 ' B' ' 55' ' ' VAL . 5.5 mp -63.07 -30.4 71.57 Favored 'General case' 0 CA--C 1.57 1.717 0 C-N-CA 123.155 0.582 . . . . 75.22 111.452 173.287 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.0 mt -69.89 -36.69 75.65 Favored 'General case' 0 CA--C 1.566 1.566 0 N-CA-C 113.548 0.944 . . . . 74.22 113.548 175.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.939 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 14.4 ptm180 -70.97 -33.25 70.26 Favored 'General case' 0 N--CA 1.504 2.23 0 CA-C-N 119.09 0.859 . . . . 75.02 111.803 177.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -79.99 -18.94 48.98 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 115.612 -0.722 . . . . 72.33 110.665 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 34.6 t70 69.82 18.53 7.36 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.214 1.406 . . . . 61.43 111.122 175.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.403 ' HD3' ' CD1' ' B' ' 16' ' ' TRP . 2.5 ptpp? -79.93 -8.73 59.49 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 115.632 -0.713 . . . . 73.35 112.125 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.561 HG11 HD23 ' B' ' 49' ' ' LEU . 22.3 m -132.46 163.65 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-O 121.934 0.873 . . . . 72.34 112.303 177.322 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.555 HG13 HG22 ' B' ' 69' ' ' VAL . 19.9 m -129.92 142.05 44.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 114.116 -1.402 . . . . 74.04 108.995 168.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 47.1 p -101.4 139.62 36.81 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.14 0.576 . . . . 64.15 110.777 -177.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 68.8 m -147.83 171.41 15.76 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.172 0.989 . . . . 75.15 110.656 -176.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -123.13 121.7 36.64 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.742 0.817 . . . . 65.23 109.565 176.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 35.5 t -119.96 113.35 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.894 0.878 . . . . 74.53 110.04 174.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 51.3 44.98 28.57 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 125.421 1.488 . . . . 70.52 113.837 172.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.35 3.5 88.61 Favored Glycine 0 CA--C 1.539 1.561 0 CA-C-N 115.701 -0.681 . . . . 70.23 114.519 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -119.18 147.8 43.81 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.115 0.966 . . . . 75.22 110.887 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 57.8 mt -68.04 124.35 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 123.096 0.558 . . . . 74.31 109.951 174.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -128.46 114.39 16.74 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.458 0.703 . . . . 73.03 109.832 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.528 HG23 HD21 ' B' ' 19' ' ' LEU . 32.6 m -115.24 138.68 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 122.992 0.517 . . . . 61.32 111.096 -177.302 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -120.9 160.69 22.94 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.372 0.669 . . . . 54.3 110.967 -174.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.461 HD23 HG12 ' B' ' 55' ' ' VAL . 89.1 mt -86.24 44.47 1.14 Allowed 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 122.878 0.471 . . . . 73.54 111.754 176.019 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.555 HG22 HG13 ' B' ' 56' ' ' VAL . 11.5 t . . . . . 0 N--CA 1.497 1.882 0 C-N-CA 124.805 1.242 . . . . 64.14 110.375 -173.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 N--CA 1.505 2.322 0 N-CA-C 112.209 0.448 . . . . 71.05 112.209 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -66.42 -38.04 86.55 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.914 1.286 . . . . 74.11 110.774 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -70.07 -39.38 75.68 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.426 -0.806 . . . . 71.5 110.088 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.636 ' HE2' HD11 ' A' ' 11' ' ' LEU . 58.7 tttt -59.91 -42.29 93.55 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 115.008 -0.996 . . . . 75.33 111.408 172.319 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.87 -34.81 76.68 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.704 0.802 . . . . 75.42 111.334 178.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.38 -36.81 69.96 Favored Glycine 0 CA--C 1.54 1.637 0 CA-C-N 115.495 -0.775 . . . . 52.13 113.005 173.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.99 -43.85 86.57 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.566 0.746 . . . . 50.45 111.372 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.636 HD11 ' HE2' ' A' ' 7' ' ' LYS . 87.8 mt -68.9 -33.5 73.86 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.952 0.901 . . . . 73.44 110.714 176.16 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.479 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -59.25 -43.28 92.43 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.384 0.674 . . . . 51.23 112.244 175.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 17' ' ' GLU . . . -58.67 -52.5 52.68 Favored Glycine 0 CA--C 1.536 1.395 0 CA-C-N 115.554 -0.748 . . . . 74.43 113.926 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -69.95 -34.91 74.03 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.291 0.636 . . . . 65.1 112.306 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.636 HG23 HG21 ' A' ' 30' ' ' ILE . 63.2 mt -67.14 -39.17 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 C-N-CA 123.112 0.565 . . . . 73.52 110.908 174.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -60.26 -44.3 95.42 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 123.454 0.701 . . . . 70.42 111.011 172.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 13' ' ' GLY . 37.0 mt-10 -66.41 -29.44 69.59 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.36 0.664 . . . . 71.41 112.613 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.34 -36.42 82.86 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.868 0.467 . . . . 51.32 110.937 173.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 67' ' ' LYS . 96.2 mt -87.27 -18.29 30.55 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 123.909 0.884 . . . . 71.34 112.472 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -64.75 123.42 19.31 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.251 0.621 . . . . 74.03 111.649 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.3 12.31 69.03 Favored Glycine 0 CA--C 1.541 1.672 0 CA-C-N 116.063 -0.517 . . . . 73.53 114.023 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.526 HG22 ' H ' ' A' ' 24' ' ' GLY . 10.1 m -118.87 149.22 41.91 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.901 0.88 . . . . 71.33 110.754 -176.44 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.38 -23.22 66.29 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.906 0.883 . . . . 75.34 112.836 176.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.526 ' H ' HG22 ' A' ' 22' ' ' THR . . . 123.71 147.82 7.36 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 113.952 0.341 . . . . 74.25 113.952 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.599 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 2.4 mm? -127.21 164.3 21.99 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.626 0.771 . . . . 64.31 110.178 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 78.2 p -77.54 168.62 19.69 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 116.22 -0.445 . . . . 73.51 110.886 171.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -38.91 75.95 Favored 'General case' 0 CA--C 1.564 1.494 0 N-CA-C 113.402 0.89 . . . . 74.54 113.402 -174.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -65.45 -48.35 72.98 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.586 0.754 . . . . 62.54 110.986 174.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.599 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 13.2 mm-40 -63.44 -39.3 94.09 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 112.45 0.537 . . . . 73.53 112.45 -172.251 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.636 HG21 HG23 ' A' ' 15' ' ' ILE . 56.5 mt -68.38 -46.14 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-O 120.712 0.291 . . . . 73.32 110.338 175.353 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -57.39 -35.5 70.08 Favored 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 123.939 0.895 . . . . 71.35 110.918 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -69.48 -47.3 64.34 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.65 1.18 . . . . 54.43 111.06 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.72 74.48 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.903 0.881 . . . . 75.33 112.176 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.6 p -89.59 -2.55 58.36 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.771 0.829 . . . . 73.24 112.338 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt 70.2 23.7 5.09 Favored 'General case' 0 N--CA 1.501 2.099 0 C-N-CA 124.525 1.13 . . . . 62.53 112.125 175.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.9 mt -85.72 132.11 34.2 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.692 0.797 . . . . 75.53 109.924 175.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -89.73 -42.31 11.39 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.422 0.689 . . . . 74.33 111.161 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.05 141.62 28.32 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.82 0.848 . . . . 53.03 111.408 -176.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -61.13 -31.74 71.45 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.246 1.418 . . . . 64.44 111.998 176.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -57.09 -42.57 80.99 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.792 1.237 . . . . 72.42 112.785 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.97 -34.08 76.97 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.395 0.678 . . . . 63.43 111.388 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -64.9 -40.77 95.6 Favored 'General case' 0 CA--C 1.556 1.204 0 CA-C-N 116.027 -0.533 . . . . 70.4 111.046 174.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -64.03 -40.92 97.39 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 122.994 0.518 . . . . 72.42 112.333 178.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.25 -47.44 86.05 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.378 0.671 . . . . 43.43 111.644 176.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.603 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -66.4 -51.82 40.11 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 116.131 -0.486 . . . . 55.44 113.554 178.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.91 -36.76 82.28 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.781 0.833 . . . . 60.23 111.995 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.99 -31.29 78.07 Favored Glycine 0 N--CA 1.475 1.273 0 CA-C-N 116.015 -0.539 . . . . 41.13 112.818 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.501 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 11.2 t-105 -77.45 -29.65 52.92 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 123.222 0.609 . . . . 71.42 111.133 176.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.645 HD23 HG11 ' A' ' 55' ' ' VAL . 5.8 mp -64.95 -31.56 72.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.776 -0.577 . . . . 52.23 111.001 172.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.407 ' HB3' ' HG2' ' B' ' 5' ' ' LYS . 86.8 mt -72.14 -35.46 69.08 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.973 0.909 . . . . 75.44 112.874 178.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.573 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 12.2 ptm180 -61.02 -27.07 68.06 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 113.713 1.005 . . . . 62.11 113.713 -178.256 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.573 ' HG3' ' HG3' ' A' ' 51' ' ' ARG . 42.8 mt-10 -109.47 -9.27 14.93 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.266 0.626 . . . . 74.44 111.806 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 61.77 35.44 16.73 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.922 0.889 . . . . 70.22 111.544 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -77.84 -6.62 54.8 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 115.23 -0.895 . . . . 71.0 111.259 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.645 HG11 HD23 ' A' ' 49' ' ' LEU . 31.0 m -132.66 161.9 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.092 0.957 . . . . 71.4 111.093 177.311 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.675 HG13 HG22 ' A' ' 69' ' ' VAL . 15.8 m -116.93 127.9 74.45 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.033 0 C-N-CA 124.071 0.948 . . . . 74.14 110.654 170.038 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.0 p -106.05 133.88 50.06 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.53 1.132 . . . . 63.13 110.106 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.6 t -123.56 148.44 46.34 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.462 1.105 . . . . 54.43 110.075 -178.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -97.23 101.29 12.82 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.595 -0.891 . . . . 73.04 108.595 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.3 t -122.13 111.18 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.51 0.724 . . . . 63.23 110.209 -174.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 58.16 35.44 25.06 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 124.897 1.279 . . . . 75.44 112.116 176.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.52 -13.57 57.8 Favored Glycine 0 CA--C 1.543 1.814 0 CA-C-N 115.885 -0.598 . . . . 22.12 114.193 -177.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -98.67 155.35 17.37 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.768 0.827 . . . . 54.34 111.921 -171.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.1 mt -85.24 111.1 20.24 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.178 0 C-N-CA 123.435 0.694 . . . . 74.35 110.41 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -106.35 133.51 50.93 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.091 0.956 . . . . 71.44 108.623 171.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.1 p -139.51 149.42 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 CA-C-O 121.26 0.552 . . . . 74.35 112.476 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.475 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 20.7 pttp -154.73 169.82 23.04 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.182 0.993 . . . . 75.22 109.707 177.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.542 HD23 HG12 ' A' ' 55' ' ' VAL . 48.4 mt -68.05 160.46 28.79 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 118.504 0.593 . . . . 71.53 111.51 173.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.675 HG22 HG13 ' A' ' 56' ' ' VAL . 15.8 t . . . . . 0 CA--C 1.556 1.177 0 CA-C-O 121.582 0.706 . . . . 75.31 109.188 175.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' MET . . . . . 0.643 ' HB3' ' HB2' ' B' ' 6' ' ' GLU . 12.0 tpt . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.297 0.094 . . . . 71.44 110.781 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.39 -28.74 67.37 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.234 0.614 . . . . 61.31 111.076 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.437 ' H ' ' HG3' ' B' ' 3' ' ' MET . 0.9 OUTLIER -67.67 -45.11 76.16 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.532 0.733 . . . . 63.44 110.212 169.171 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.643 ' HB2' ' HB3' ' B' ' 3' ' ' MET . 2.9 tp10 -70.27 -39.08 75.15 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.434 0.694 . . . . 73.13 112.388 -169.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -32.59 73.74 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.844 0.457 . . . . 62.14 111.616 178.328 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.24 -36.8 85.28 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.537 0.735 . . . . 73.23 111.154 175.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.63 -38.53 57.23 Favored Glycine 0 C--N 1.35 1.339 0 CA-C-N 115.967 -0.56 . . . . 54.43 113.717 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.9 97.52 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.624 0.77 . . . . 74.41 111.274 176.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.525 HD22 HD21 ' B' ' 36' ' ' LEU . 81.2 mt -71.75 -37.92 70.48 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.396 -0.82 . . . . 64.51 111.473 175.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.52 -40.28 86.61 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.335 0.654 . . . . 73.51 112.656 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.47 -53.57 44.89 Favored Glycine 0 CA--C 1.534 1.281 0 O-C-N 123.779 0.675 . . . . 44.03 113.305 177.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -70.14 -33.94 72.43 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.076 0.55 . . . . 71.23 112.404 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.502 HG23 HG21 ' B' ' 30' ' ' ILE . 79.4 mt -64.56 -44.33 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 122.982 0.513 . . . . 75.52 110.512 175.278 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -63.73 -41.96 97.98 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.233 0.613 . . . . 65.03 111.451 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.03 -34.93 78.62 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 123.372 0.669 . . . . 70.03 111.782 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.65 81.62 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.304 0.642 . . . . 63.31 111.26 173.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.43 HD23 HD13 ' B' ' 25' ' ' LEU . 75.8 mt -78.35 -29.59 47.61 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.082 0.953 . . . . 62.34 112.003 177.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -67.89 124.39 23.22 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.681 0.792 . . . . 63.13 111.359 -173.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.24 -37.4 3.4 Favored Glycine 0 CA--C 1.538 1.505 0 CA-C-N 116.013 -0.539 . . . . 50.22 112.668 -172.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.9 m -78.97 158.69 27.93 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.098 0.959 . . . . 73.04 110.848 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.27 10.13 9.21 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.452 0.701 . . . . 74.25 112.267 176.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.65 146.49 10.86 Favored Glycine 0 C--N 1.346 1.109 0 C-N-CA 123.048 0.356 . . . . 63.3 112.32 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.641 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 5.2 mp -124.95 159.78 30.43 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.191 0.596 . . . . 74.4 110.385 -177.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 69.3 p -82.55 170.73 14.87 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 116.358 -0.383 . . . . 54.33 110.448 171.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -55.08 -34.04 63.28 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 123.809 0.843 . . . . 74.42 112.123 174.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -63.65 -53.49 50.6 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 124.509 1.123 . . . . 74.21 112.051 174.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' GLN . . . . . 0.641 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 69.7 mt-30 -69.29 -40.4 77.75 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.966 0.906 . . . . 72.33 112.891 -170.3 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.502 HG21 HG23 ' B' ' 15' ' ' ILE . 71.3 mt -60.91 -39.05 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 122.817 0.447 . . . . 74.44 111.278 178.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -64.05 -25.42 68.1 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 113.216 0.821 . . . . 72.44 113.216 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -66.95 -55.93 12.43 Favored 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 109.173 -0.677 . . . . 75.34 109.173 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.51 86.41 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.529 0.732 . . . . 51.11 112.304 -173.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 80.5 p -81.64 -21.93 37.91 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.868 0.867 . . . . 54.22 112.021 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 68.56 35.59 3.16 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 124.735 1.214 . . . . 64.43 111.404 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.525 HD21 HD22 ' B' ' 11' ' ' LEU . 68.8 mt -81.59 124.72 29.77 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.25 0.62 . . . . 70.21 110.93 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -82.76 -49.94 9.21 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.944 0.897 . . . . 74.14 110.859 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.58 131.37 37.75 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.404 0.681 . . . . 74.54 111.528 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -64.83 -26.44 68.34 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.679 0.791 . . . . 75.12 111.402 169.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -59.29 -34.97 72.93 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.393 1.077 . . . . 74.12 112.784 177.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -71.91 -45.81 59.91 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.224 0.61 . . . . 70.14 110.532 171.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -57.6 -39.04 75.95 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 114.86 -1.064 . . . . 72.4 112.964 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -64.45 -37.63 88.2 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 123.089 0.556 . . . . 73.05 112.256 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.37 -40.12 67.52 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.42 0.688 . . . . 62.53 111.337 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLY . . . . . 0.426 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -66.56 -46.29 77.92 Favored Glycine 0 N--CA 1.478 1.45 0 CA-C-N 116.455 -0.339 . . . . 64.41 113.004 176.095 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.672 HD11 HG11 ' B' ' 66' ' ' VAL . 36.3 tp -70.53 -30.71 67.53 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 124.004 0.922 . . . . 75.03 111.315 178.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.72 -30.59 70.55 Favored Glycine 0 N--CA 1.476 1.311 0 CA-C-N 115.319 -0.855 . . . . 73.53 112.31 176.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' TRP . . . . . 0.549 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 8.7 t-105 -64.7 -40.9 96.16 Favored 'General case' 0 CA--C 1.562 1.421 0 C-N-CA 123.137 0.575 . . . . 73.55 110.089 171.353 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.492 HD23 HG11 ' B' ' 55' ' ' VAL . 6.5 mp -56.98 -28.88 62.75 Favored 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 123.35 0.66 . . . . 53.44 112.66 177.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.07 -42.32 84.9 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.192 0.597 . . . . 62.24 111.993 172.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' B' ' 48' ' ' TRP . 12.5 ptp180 -66.23 -28.3 68.62 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 121.302 0.572 . . . . 74.33 110.275 176.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.414 ' HB3' ' HE2' ' B' ' 54' ' ' LYS . 27.8 mm-40 -78.85 -20.22 50.1 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.433 -0.803 . . . . 75.31 111.579 178.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 p30 51.75 25.32 2.85 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 126.043 1.737 . . . . 73.12 112.917 -172.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' B' ' 52' ' ' GLU . 56.6 mtmt -87.47 -0.36 56.7 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.645 0.778 . . . . 72.54 111.915 178.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.492 HG11 HD23 ' B' ' 49' ' ' LEU . 35.3 m -132.63 163.17 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-O 121.651 0.738 . . . . 62.13 112.805 176.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 6.7 p -129.72 133.09 65.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 C-N-CA 125.143 1.377 . . . . 74.11 108.328 167.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' THR . . . . . 0.469 HG22 HG12 ' B' ' 66' ' ' VAL . 34.1 p -102.48 154.93 18.62 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 121.238 0.542 . . . . 75.22 111.09 -172.226 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 79.9 p -163.46 171.96 15.18 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.633 1.173 . . . . 72.21 109.47 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -113.17 108.64 17.57 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.97 -0.752 . . . . 74.43 108.97 172.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 41.1 t -108.66 120.53 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.832 0.853 . . . . 64.41 109.936 175.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 58.07 29.67 18.14 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.838 1.655 . . . . 73.22 112.982 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.77 -3.24 65.06 Favored Glycine 0 CA--C 1.541 1.692 0 N-CA-C 114.982 0.753 . . . . 70.53 114.982 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -117.45 163.27 16.64 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 118.108 0.954 . . . . 74.3 112.02 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 70.7 mt -72.81 122.05 24.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 CA-C-N 115.278 -0.874 . . . . 70.23 109.529 174.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -128.26 128.04 43.93 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.267 1.027 . . . . 50.05 109.47 -176.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.672 HG11 HD11 ' B' ' 46' ' ' LEU . 29.2 m -123.44 147.51 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.33 0.652 . . . . 71.35 111.314 -176.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -129.15 151.11 50.18 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.524 1.13 . . . . 72.11 108.756 -177.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 58.2 mt -76.92 73.53 3.53 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-N 119.462 1.028 . . . . 54.04 111.638 175.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 15.7 t . . . . . 0 N--CA 1.5 2.044 0 C-N-CA 124.889 1.276 . . . . 61.2 111.661 -178.598 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 CA--C 1.562 1.416 0 N-CA-C 111.837 0.31 . . . . 74.54 111.837 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -59.27 -48.63 80.89 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.309 1.044 . . . . 72.34 111.373 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -65.99 -33.04 74.89 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 115.017 -0.992 . . . . 72.14 110.454 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -44.73 72.5 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.664 0.786 . . . . 73.3 111.358 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.89 -34.72 71.98 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.729 0.812 . . . . 74.05 112.353 177.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.92 -39.73 96.72 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-N 115.951 -0.568 . . . . 64.54 113.766 174.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.08 -33.41 75.97 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.375 0.67 . . . . 54.23 111.768 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.44 -42.02 83.81 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.763 0.825 . . . . 61.05 111.315 176.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.418 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -57.73 -41.98 82.95 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.939 0.896 . . . . 74.04 112.811 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.52 -37.89 84.63 Favored Glycine 0 CA--C 1.536 1.397 0 CA-C-N 115.753 -0.658 . . . . 64.13 113.648 177.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -73.1 -46.26 52.36 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.319 0.648 . . . . 65.4 111.502 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.611 HG23 HG21 ' A' ' 30' ' ' ILE . 68.2 mt -66.68 -41.87 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 123.689 0.796 . . . . 72.02 111.91 -176.199 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -60.99 -43.36 98.95 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.069 0.548 . . . . 73.32 110.777 173.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.07 -30.97 69.41 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.56 0.744 . . . . 75.52 111.47 -177.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.0 -30.97 68.42 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.505 0.722 . . . . 62.34 111.271 173.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.5 mt -81.31 -20.15 41.38 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.759 0.824 . . . . 53.14 111.844 172.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -79.56 120.24 23.64 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.425 0.69 . . . . 71.33 109.24 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.68 -8.76 37.34 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 122.874 0.273 . . . . 74.42 112.777 -169.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.7 p -129.18 168.72 15.74 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.496 1.118 . . . . 75.34 109.789 175.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -91.07 -4.05 56.64 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 111.876 0.324 . . . . 71.51 111.876 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.35 131.63 2.54 Favored Glycine 0 C--N 1.35 1.344 0 CA-C-N 116.637 -0.256 . . . . 62.15 113.067 -175.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.426 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 98.1 mt -125.4 159.32 32.14 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.894 0.877 . . . . 72.14 110.941 -178.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.2 p -82.82 167.13 18.39 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 109.475 -0.565 . . . . 50.4 109.475 173.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 20.3 pt20 -51.34 -42.74 61.48 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 123.393 0.677 . . . . 62.04 112.435 -177.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -57.68 -49.62 75.91 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.465 1.106 . . . . 71.25 113.058 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.426 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 48.9 mt-30 -67.19 -33.0 74.45 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.689 0.795 . . . . 74.44 111.864 -174.377 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.611 HG21 HG23 ' A' ' 15' ' ' ILE . 57.3 mt -73.31 -45.43 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.41 0.684 . . . . 60.11 111.132 177.384 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 27' ' ' GLN . 51.5 mtpt -59.55 -34.03 72.15 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.416 0.687 . . . . 43.34 111.781 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -69.91 -48.11 59.85 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 123.45 0.7 . . . . 60.53 110.342 175.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.0 -34.18 77.83 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.533 0.733 . . . . 70.23 112.621 -177.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.8 p -87.95 -17.2 31.83 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.876 0.871 . . . . 73.25 111.467 176.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm 65.94 31.38 9.26 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 125.369 1.468 . . . . 65.41 112.575 -178.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 pp -101.93 137.29 40.41 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-O 121.196 0.522 . . . . 75.31 110.389 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.65 -12.81 30.62 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.568 0.747 . . . . 71.0 112.315 -179.417 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -98.23 114.08 26.22 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.437 0.695 . . . . 75.34 112.4 -170.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -59.58 -27.41 66.24 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.116 0.566 . . . . 70.3 110.555 168.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.405 ' NZ ' ' HB3' ' A' ' 40' ' ' LYS . 2.0 mmmp? -50.49 -57.9 7.0 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.46 1.504 . . . . 62.11 112.662 175.353 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -76.94 -21.53 54.67 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.972 0.509 . . . . 63.01 111.48 -177.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -63.11 -40.45 97.66 Favored 'General case' 0 CA--C 1.557 1.221 0 CA-C-N 115.768 -0.651 . . . . 74.11 110.9 170.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -65.34 -39.78 92.82 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 123.064 0.546 . . . . 74.1 112.201 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.78 -46.15 89.35 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.414 0.686 . . . . 34.1 111.303 178.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.607 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -68.97 -50.72 32.91 Favored Glycine 0 CA--C 1.537 1.421 0 CA-C-N 116.062 -0.517 . . . . 62.13 113.311 177.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.4 tp -56.7 -38.16 71.9 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.304 1.042 . . . . 74.33 112.141 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.9 -31.61 72.87 Favored Glycine 0 N--CA 1.476 1.309 0 CA-C-N 115.21 -0.904 . . . . 72.34 112.336 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.523 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 8.6 t-105 -74.15 -31.79 62.86 Favored 'General case' 0 CA--C 1.564 1.51 0 C-N-CA 123.928 0.891 . . . . 60.21 110.699 175.304 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.471 HD23 HG11 ' A' ' 55' ' ' VAL . 6.4 mp -66.4 -36.36 82.63 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.596 -0.69 . . . . 45.54 110.705 172.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.507 HD21 HG23 ' A' ' 57' ' ' THR . 96.2 mt -71.68 -34.13 69.42 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.943 0.897 . . . . 70.25 112.627 175.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.644 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 7.9 ptt180 -60.9 -37.35 81.94 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 112.09 0.404 . . . . 72.43 112.09 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.644 ' HG3' ' HG3' ' A' ' 51' ' ' ARG . 44.3 mt-10 -100.36 -6.6 25.52 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.82 0.848 . . . . 65.22 112.031 -178.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 63.49 36.21 11.41 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 124.258 1.023 . . . . 52.22 112.359 174.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.53 ' HE3' ' HB2' ' A' ' 52' ' ' GLU . 14.9 ptpt -85.21 -5.87 59.3 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.222 0.609 . . . . 74.51 111.021 175.271 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.548 HG12 HD23 ' A' ' 68' ' ' LEU . 26.4 m -136.77 168.6 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 C-N-CA 124.465 1.106 . . . . 74.22 110.494 174.167 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.7 m -135.35 139.55 46.56 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 124.766 1.227 . . . . 73.51 109.598 168.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.507 HG23 HD21 ' A' ' 50' ' ' LEU . 39.9 p -106.78 148.1 28.87 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.624 0.769 . . . . 73.34 111.497 -173.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.2 m -137.82 154.31 49.54 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.833 1.253 . . . . 44.51 109.801 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -110.18 108.3 18.39 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.425 0.69 . . . . 71.4 109.368 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.4 t -121.43 109.34 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 123.473 0.709 . . . . 74.45 110.357 -173.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 51.59 32.54 9.23 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.249 1.42 . . . . 74.35 113.97 173.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.98 -21.45 45.83 Favored Glycine 0 CA--C 1.538 1.52 0 N-CA-C 114.639 0.615 . . . . 54.21 114.639 -178.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -80.05 136.35 36.55 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 117.834 0.817 . . . . 74.3 111.661 176.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 66.5 mt -75.1 100.79 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 N-CA-C 109.084 -0.71 . . . . 75.13 109.084 167.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -92.13 140.37 29.7 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.345 0.658 . . . . 62.02 109.959 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.0 p -140.46 147.31 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 C-N-CA 123.226 0.61 . . . . 63.42 110.726 172.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.7 147.31 35.45 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.098 0.559 . . . . 44.12 110.696 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.548 HD23 HG12 ' A' ' 55' ' ' VAL . 69.8 mt -64.11 147.3 52.55 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 110.347 -0.242 . . . . 71.43 110.347 174.18 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 78.5 t . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 121.54 0.686 . . . . 74.45 109.93 174.994 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 84.8 mtp . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.529 0.204 . . . . 62.31 111.485 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.68 -16.93 64.57 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.536 0.734 . . . . 72.42 112.381 175.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -60.92 -35.36 76.51 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.069 0.948 . . . . 53.21 112.305 172.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -63.16 -36.75 84.67 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.669 0.787 . . . . 72.05 112.41 -170.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -31.68 68.56 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 112.338 0.495 . . . . 73.43 112.338 178.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.76 84.94 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 122.85 0.46 . . . . 75.44 110.583 176.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.29 -34.46 57.78 Favored Glycine 0 CA--C 1.539 1.588 0 CA-C-N 115.37 -0.832 . . . . 73.51 113.518 174.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.47 -52.1 36.16 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.189 0.596 . . . . 65.11 111.206 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -57.63 -37.47 73.36 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.3 1.04 . . . . 74.13 111.383 174.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.514 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -56.88 -45.71 82.33 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.587 0.555 . . . . 64.23 112.035 175.587 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.01 -48.69 85.01 Favored Glycine 0 C--N 1.347 1.171 0 O-C-N 123.884 0.74 . . . . 73.21 113.211 175.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -59.85 -48.87 79.96 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 123.748 0.819 . . . . 75.23 111.777 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.578 HG23 HG21 ' B' ' 30' ' ' ILE . 97.9 mt -62.93 -44.75 99.82 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 124.061 0.945 . . . . 52.43 111.603 177.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -63.69 -39.5 94.46 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.478 0.711 . . . . 55.13 111.753 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -69.05 -26.42 64.96 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.654 0.782 . . . . 52.1 112.077 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.74 -29.89 65.01 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.029 0.532 . . . . 65.45 111.242 170.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.534 HD22 ' HA2' ' B' ' 24' ' ' GLY . 87.3 mt -86.69 -21.16 26.83 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.773 0.829 . . . . 72.22 111.811 176.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -70.05 120.54 15.9 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.74 0.816 . . . . 65.11 110.909 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.97 -33.62 5.62 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 115.801 -0.636 . . . . 41.34 113.04 -175.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 31.9 p -89.12 173.63 8.33 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.423 0.689 . . . . 74.45 111.702 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -89.65 8.57 30.81 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.832 0.853 . . . . 75.01 111.889 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.534 ' HA2' HD22 ' B' ' 19' ' ' LEU . . . 91.9 141.42 10.01 Favored Glycine 0 C--N 1.353 1.473 0 C-N-CA 122.835 0.255 . . . . 63.23 113.451 -176.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.84 176.54 5.35 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.913 0.885 . . . . 75.33 110.649 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 75.8 p -87.1 166.37 15.05 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 122.72 0.408 . . . . 73.1 110.326 172.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' GLN . . . . . 0.42 ' HG2' ' CD2' ' B' ' 42' ' ' PHE . 0.3 OUTLIER -51.9 -51.2 58.52 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.36 1.064 . . . . 73.4 111.474 -174.188 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -61.69 -32.42 72.61 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 113.116 0.784 . . . . 61.05 113.116 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -74.83 -40.95 60.77 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.156 0.582 . . . . 73.15 111.707 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.578 HG21 HG23 ' B' ' 15' ' ' ILE . 57.4 mt -71.79 -47.13 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 123.183 0.593 . . . . 71.31 111.492 -177.281 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -61.88 -29.39 70.16 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.518 0.327 . . . . 70.43 111.707 178.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -70.79 -49.88 41.77 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.126 0.57 . . . . 43.24 109.666 174.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.7 91.05 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.83 0.852 . . . . 73.13 112.379 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.472 ' OG1' ' HG ' ' B' ' 36' ' ' LEU . 72.2 p -86.44 -8.07 57.92 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.164 0.986 . . . . 65.24 111.874 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? 62.68 37.89 12.42 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 125.059 1.343 . . . . 65.24 112.435 177.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.472 ' HG ' ' OG1' ' B' ' 34' ' ' THR . 88.8 mt -64.49 127.59 32.15 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.482 0.713 . . . . 74.43 110.436 173.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 pptp? -67.29 -22.99 65.62 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.354 0.662 . . . . 73.51 112.596 -172.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.93 172.74 12.33 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.119 0.967 . . . . 32.21 110.878 174.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -69.81 -28.79 66.02 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.788 0.835 . . . . 65.24 110.224 170.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -63.75 -29.83 71.0 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.488 1.115 . . . . 70.42 112.952 -175.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -60.0 -41.23 91.66 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.517 0.727 . . . . 55.22 110.623 174.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 0.472 ' HA ' HD11 ' B' ' 15' ' ' ILE . 65.7 t80 -64.76 -43.73 92.34 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 114.849 -1.069 . . . . 71.44 111.763 -178.202 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -66.44 -33.44 75.7 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 122.96 0.504 . . . . 74.41 112.306 -173.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.66 -43.34 66.24 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.284 0.634 . . . . 75.41 111.309 175.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.46 -42.33 93.8 Favored Glycine 0 CA--C 1.537 1.464 0 CA-C-N 116.369 -0.378 . . . . 74.35 113.192 176.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.6 tp -64.45 -33.42 75.84 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.27 1.028 . . . . 74.11 111.27 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.28 -34.02 87.88 Favored Glycine 0 N--CA 1.472 1.058 0 CA-C-N 115.726 -0.67 . . . . 51.4 112.365 176.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' TRP . . . . . 0.514 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 21.0 t-105 -77.0 -34.68 57.49 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 123.034 0.533 . . . . 71.33 110.861 175.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.445 ' HB3' ' CG2' ' B' ' 55' ' ' VAL . 8.0 mp -56.42 -40.64 75.06 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.473 0.709 . . . . 74.04 111.779 172.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -67.6 -42.41 82.47 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.783 0.833 . . . . 72.43 112.466 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -18.8 60.89 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 112.181 0.437 . . . . 72.25 112.181 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.559 ' HB2' ' HD2' ' B' ' 54' ' ' LYS . 12.0 mm-40 -91.86 -15.53 28.02 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.673 0.389 . . . . 63.22 111.642 174.148 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 56.26 29.55 15.11 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.202 1.001 . . . . 64.35 111.581 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.559 ' HD2' ' HB2' ' B' ' 52' ' ' GLU . 1.8 ptmm? -86.4 -7.64 58.29 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 114.638 -1.165 . . . . 73.25 110.863 -177.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' B' ' 49' ' ' LEU . 34.8 m -138.35 178.92 3.7 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.224 0 C-N-CA 124.69 1.196 . . . . 63.45 111.419 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 p -141.96 140.14 30.22 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 124.38 1.072 . . . . 72.02 110.498 169.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 46.2 p -110.19 134.39 52.27 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.204 1.002 . . . . 62.53 112.12 -173.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 38.3 t -135.44 170.55 15.76 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.426 1.491 . . . . 72.12 109.81 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -112.37 107.54 16.39 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.761 0.424 . . . . 64.45 110.584 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 39.6 t -113.68 117.57 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 124.02 0.928 . . . . 73.1 110.62 178.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 58.87 37.96 24.66 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 124.928 1.291 . . . . 65.32 112.94 172.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.1 12.42 84.65 Favored Glycine 0 CA--C 1.537 1.424 0 CA-C-N 115.866 -0.606 . . . . 54.52 113.834 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -127.2 155.75 42.92 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.745 0.818 . . . . 73.52 111.107 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 69.2 mt -74.83 111.69 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 C-N-CA 123.418 0.687 . . . . 74.14 110.168 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -94.65 135.49 36.06 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.71 -0.848 . . . . 74.21 108.71 169.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 8.8 p -139.36 143.56 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-O 120.834 0.35 . . . . 73.41 111.015 174.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -146.15 162.55 37.74 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.506 0.722 . . . . 61.44 110.466 -177.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 17.6 mt -70.56 154.19 42.12 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 120.451 0.167 . . . . 74.34 110.828 175.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 52.7 t . . . . . 0 CA--C 1.558 1.252 0 C-N-CA 122.644 0.378 . . . . 42.54 110.141 176.336 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.6 mt . . . . . 0 N--CA 1.496 1.863 0 N-CA-C 113.143 0.794 . . . . 61.24 113.143 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -64.76 -34.01 77.32 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.699 0.4 . . . . 55.54 112.069 174.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -62.11 -38.88 90.55 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.289 0.636 . . . . 73.34 112.435 -170.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.448 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -66.24 -32.3 73.64 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.717 0.407 . . . . 62.24 111.786 178.616 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.0 -35.0 78.98 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.267 0.627 . . . . 71.15 111.07 175.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.09 -32.35 63.23 Favored Glycine 0 C--N 1.351 1.392 0 CA-C-N 115.461 -0.791 . . . . 60.25 113.289 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.4 -49.53 68.91 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.332 0.653 . . . . 60.22 111.08 174.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.493 HD22 HD21 ' A' ' 36' ' ' LEU . 64.9 mt -67.0 -27.01 67.08 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.332 0.653 . . . . 72.52 111.525 178.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.464 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -59.71 -45.25 92.73 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.261 0.625 . . . . 73.34 111.59 172.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.07 -32.37 82.07 Favored Glycine 0 CA--C 1.537 1.414 0 CA-C-N 115.618 -0.719 . . . . 41.23 113.394 175.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -69.43 -48.96 59.32 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.375 0.67 . . . . 74.02 111.583 177.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.446 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 64.8 mt -69.55 -46.38 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 123.48 0.712 . . . . 63.4 111.507 -176.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -57.27 -43.04 82.71 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.823 0.849 . . . . 74.13 110.816 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -59.45 -43.49 93.14 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.532 1.133 . . . . 62.23 111.015 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.17 -29.1 68.7 Favored 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 123.484 0.714 . . . . 45.55 112.569 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 61.8 mt -83.79 -25.18 30.67 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.255 0.622 . . . . 64.5 111.518 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -70.27 136.77 50.18 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.749 0.82 . . . . 71.31 111.61 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.35 9.9 73.73 Favored Glycine 0 N--CA 1.48 1.573 0 CA-C-N 116.195 -0.457 . . . . 54.4 113.85 -175.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 m -134.44 169.57 17.05 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.859 1.264 . . . . 74.55 108.322 -177.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -88.22 29.13 0.98 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.767 0.427 . . . . 70.35 110.68 168.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.431 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 79.86 -175.87 54.85 Favored Glycine 0 C--N 1.344 1.001 0 CA-C-O 121.408 0.449 . . . . 74.34 113.81 -177.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.6 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 95.7 mt -145.39 164.14 32.41 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.217 1.007 . . . . 61.14 109.444 -174.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.7 p -78.2 164.86 24.57 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 109.447 -0.575 . . . . 63.24 109.447 169.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 18.0 pt20 -54.33 -39.48 67.08 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.711 0.404 . . . . 72.23 110.558 178.409 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -57.55 -52.16 66.54 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.126 1.37 . . . . 70.5 112.003 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.6 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 17.6 mm-40 -65.72 -34.8 79.04 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.582 0.753 . . . . 64.21 111.437 -177.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.437 HD11 HD21 ' A' ' 19' ' ' LEU . 97.5 mt -70.56 -41.6 78.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 123.435 0.694 . . . . 73.54 111.263 177.32 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 12.2 mmmm -58.77 -39.34 80.73 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.288 0.635 . . . . 72.11 111.361 177.504 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -68.7 -41.7 78.75 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.263 -0.88 . . . . 73.22 111.821 176.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.57 -45.93 70.75 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.524 0.729 . . . . 53.02 112.357 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.5 p -90.96 -14.88 30.7 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.342 1.057 . . . . 72.43 112.476 -172.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 66.15 42.0 3.32 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 124.537 1.135 . . . . 53.11 111.874 174.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.493 HD21 HD22 ' A' ' 11' ' ' LEU . 97.0 mt -83.14 138.0 33.84 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.562 0.345 . . . . 73.33 111.605 -177.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -66.51 -36.11 81.92 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.973 0.909 . . . . 74.44 112.533 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.18 152.6 47.53 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.266 0.626 . . . . 70.31 111.576 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -59.96 -25.58 65.32 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.982 0.913 . . . . 72.45 111.35 171.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -53.11 -43.74 67.11 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.807 1.243 . . . . 74.5 112.176 172.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -67.97 -34.61 76.88 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.45 0.7 . . . . 71.42 110.819 178.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -63.81 -36.61 84.48 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 115.413 -0.812 . . . . 70.21 111.256 173.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -71.28 -34.5 70.72 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 122.566 0.347 . . . . 63.33 111.744 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -71.07 -42.49 69.33 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.247 0.619 . . . . 63.23 111.047 175.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.19 -53.91 23.48 Favored Glycine 0 CA--C 1.537 1.445 0 CA-C-N 116.417 -0.356 . . . . 62.33 112.969 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.1 tp -62.03 -30.39 70.94 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.267 1.027 . . . . 61.23 111.644 176.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.34 -30.92 75.44 Favored Glycine 0 N--CA 1.475 1.237 0 CA-C-N 116.007 -0.542 . . . . 71.45 112.712 174.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.49 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 2.3 t-105 -76.91 -36.06 56.93 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 123.154 0.582 . . . . 70.11 110.694 174.038 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.506 HD23 HG11 ' A' ' 55' ' ' VAL . 7.5 mp -63.46 -31.77 73.02 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.069 0.547 . . . . 73.34 111.391 173.351 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 tt -76.5 -42.92 41.7 Favored 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 123.376 0.671 . . . . 75.14 109.722 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.666 ' HB2' ' HB3' ' B' ' 51' ' ' ARG . 9.1 ptp180 -60.64 -33.06 72.24 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 113.817 1.043 . . . . 74.31 113.817 -172.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -102.39 0.87 34.63 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.103 0.561 . . . . 73.33 112.066 178.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.7 t70 62.54 44.3 7.08 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 122.436 1.113 . . . . 72.44 110.503 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -76.61 -32.62 58.17 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 114.586 -1.188 . . . . 64.34 110.703 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.506 HG11 HD23 ' A' ' 49' ' ' LEU . 29.8 m -132.5 173.44 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.41 0.684 . . . . 73.24 112.302 -173.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -122.2 138.57 51.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 C-N-CA 124.827 1.251 . . . . 51.43 109.548 170.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.429 ' HA ' HG12 ' A' ' 66' ' ' VAL . 46.8 p -101.72 136.27 41.84 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.751 0.821 . . . . 43.31 111.819 -175.239 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.1 t -146.66 172.23 13.92 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.787 1.235 . . . . 70.35 109.685 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.88 121.64 33.77 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 121.668 0.747 . . . . 63.23 111.046 173.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.9 t -105.22 111.04 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.506 0.722 . . . . 64.15 109.795 172.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 58.89 41.79 20.7 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.627 1.171 . . . . 73.51 112.869 172.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.68 7.24 88.77 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 115.463 -0.789 . . . . 73.43 114.629 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -119.46 151.2 38.95 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.454 0.701 . . . . 75.43 110.744 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 74.4 mt -69.8 129.57 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 122.845 0.458 . . . . 75.34 110.278 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -132.0 122.03 24.86 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.4 1.08 . . . . 70.32 109.143 177.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.429 HG12 ' HA ' ' A' ' 57' ' ' THR . 28.9 m -128.67 151.26 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.045 0.538 . . . . 71.53 111.356 -179.176 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.431 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 62.5 pttt -155.32 162.02 40.94 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 122.929 0.492 . . . . 75.21 110.923 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.498 HD23 HG12 ' A' ' 55' ' ' VAL . 35.4 mt -63.25 145.73 54.91 Favored 'General case' 0 CA--C 1.557 1.215 0 CA-C-O 120.897 0.38 . . . . 64.43 111.663 -179.447 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 0 N--CA 1.489 1.513 0 C-N-CA 123.898 0.879 . . . . 73.45 111.592 179.645 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 3' ' ' MET . . . . . 0.481 ' HG3' ' HB3' ' B' ' 5' ' ' LYS . 20.6 ptm . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.881 0.372 . . . . 71.11 111.993 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.41 -17.17 64.16 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 123.703 0.801 . . . . 60.04 111.945 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.481 ' HB3' ' HG3' ' B' ' 3' ' ' MET . 88.4 tttt -66.89 -30.7 70.93 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.991 0.916 . . . . 73.4 111.732 172.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -62.25 -51.88 65.97 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.443 0.697 . . . . 73.14 111.621 -177.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -31.26 72.37 Favored 'General case' 0 CA--C 1.555 1.148 0 O-C-N 123.225 0.328 . . . . 63.44 111.866 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.27 -50.71 66.85 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 120.905 0.383 . . . . 71.22 111.909 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.26 -35.57 52.53 Favored Glycine 0 CA--C 1.539 1.551 0 N-CA-C 114.772 0.669 . . . . 72.12 114.772 -176.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.07 -50.03 57.66 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.149 0.58 . . . . 70.22 112.414 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.566 HD22 HD21 ' B' ' 36' ' ' LEU . 82.4 mt -62.41 -24.81 67.6 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 123.175 0.59 . . . . 74.43 111.919 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.96 -36.92 68.35 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.009 0.924 . . . . 55.51 112.414 174.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.32 -49.02 83.17 Favored Glycine 0 CA--C 1.538 1.482 0 CA-C-N 116.08 -0.509 . . . . 73.44 113.524 175.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -64.62 -43.72 92.84 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.724 0.81 . . . . 63.32 111.72 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.486 HD12 ' HA3' ' B' ' 45' ' ' GLY . 77.7 mt -63.79 -39.73 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 123.629 0.772 . . . . 73.12 111.243 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' TRP . . . . . 0.401 ' CD1' ' HD3' ' B' ' 54' ' ' LYS . 87.0 t90 -58.38 -49.36 77.53 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.0 0.52 . . . . 63.11 110.95 174.234 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.6 -33.97 74.83 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.799 0.84 . . . . 73.54 112.261 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.74 81.54 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.193 0.597 . . . . 42.15 111.59 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.597 HD23 ' HA ' ' B' ' 67' ' ' LYS . 7.5 mp -96.59 -10.75 26.49 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.539 0.736 . . . . 60.35 112.311 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -60.64 122.49 14.86 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.244 0.617 . . . . 65.33 111.644 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.01 22.07 77.07 Favored Glycine 0 CA--C 1.539 1.586 0 CA-C-N 116.521 -0.309 . . . . 62.41 113.512 -177.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.662 HG22 ' H ' ' B' ' 24' ' ' GLY . 27.3 m -121.01 147.08 45.99 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.761 0.824 . . . . 73.45 111.258 -176.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.68 -17.42 64.07 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 125.04 1.336 . . . . 43.13 113.114 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.662 ' H ' HG22 ' B' ' 22' ' ' THR . . . 129.12 149.69 6.92 Favored Glycine 0 C--N 1.348 1.24 0 C-N-CA 123.161 0.41 . . . . 63.11 113.02 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 90.3 mt -136.52 159.22 42.44 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.681 0.792 . . . . 54.21 110.774 -177.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 69.8 p -97.88 169.11 9.88 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.602 0.761 . . . . 73.44 110.515 170.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -55.81 -33.63 64.61 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 113.373 0.879 . . . . 61.5 113.373 -173.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.09 -48.32 82.24 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.833 0.853 . . . . 74.43 112.024 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -70.13 -37.57 75.31 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 115.518 -0.764 . . . . 75.23 111.561 -177.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.456 HG21 HG23 ' B' ' 15' ' ' ILE . 51.1 mt -73.5 -46.58 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 123.167 0.587 . . . . 74.43 111.663 -177.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -61.74 -34.53 75.99 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 122.636 0.374 . . . . 72.02 111.11 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -70.53 -40.62 73.36 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.318 0.647 . . . . 74.41 110.765 176.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.92 -35.55 78.63 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.589 0.756 . . . . 64.45 112.324 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 72.0 p -93.13 -9.39 39.62 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.125 0.97 . . . . 74.34 112.364 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 64.1 mttm 71.18 19.86 5.31 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 125.31 1.444 . . . . 75.32 111.969 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.566 HD21 HD22 ' B' ' 11' ' ' LEU . 89.4 mt -76.87 110.2 11.29 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.475 0.71 . . . . 74.41 110.012 175.088 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -67.72 -46.39 72.33 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.887 0.875 . . . . 73.44 110.752 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.6 132.36 36.38 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.223 0.609 . . . . 71.2 111.195 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.31 -24.71 64.87 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.077 0.951 . . . . 74.44 112.237 178.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -63.55 -34.48 77.89 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.799 0.84 . . . . 51.11 111.867 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.456 ' HB3' HD13 ' B' ' 11' ' ' LEU . 2.0 m-20 -65.69 -37.8 87.47 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.945 0.898 . . . . 73.2 110.785 173.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -66.15 -46.75 76.33 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 115.44 -0.8 . . . . 74.12 111.533 174.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -62.38 -36.77 83.33 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 112.464 0.542 . . . . 72.32 112.464 -175.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.12 -37.17 64.2 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.248 0.619 . . . . 54.12 111.581 176.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' GLY . . . . . 0.486 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -67.3 -54.82 18.28 Favored Glycine 0 CA--C 1.541 1.664 0 O-C-N 123.108 0.255 . . . . 53.32 112.815 177.247 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.466 HD21 HG11 ' B' ' 66' ' ' VAL . 53.4 tp -57.83 -34.04 69.27 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.47 1.108 . . . . 70.32 111.743 172.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.57 -31.74 80.87 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-N 115.948 -0.569 . . . . 60.21 112.495 175.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' TRP . . . . . 0.508 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 15.7 t-105 -76.65 -29.98 56.63 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 123.405 0.682 . . . . 74.22 110.967 174.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.33 -30.86 71.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.84 -0.537 . . . . 73.43 110.853 170.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.577 ' HB3' HH12 ' A' ' 51' ' ' ARG . 88.2 mt -74.74 -36.16 62.63 Favored 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 123.82 0.848 . . . . 53.23 112.732 178.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.666 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -70.84 -25.97 63.07 Favored 'General case' 0 N--CA 1.503 2.208 0 CA-C-N 118.292 0.496 . . . . 75.21 112.015 174.405 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -88.89 -8.54 54.06 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.946 -0.57 . . . . 53.13 110.869 173.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 p30 51.84 24.6 2.58 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 126.261 1.824 . . . . 72.44 112.789 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.401 ' HD3' ' CD1' ' B' ' 16' ' ' TRP . 0.1 OUTLIER -84.38 7.86 18.13 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.799 0.839 . . . . 73.22 112.17 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.8 m -135.68 163.95 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 C-N-CA 123.563 0.745 . . . . 72.03 111.357 169.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 14.1 m -122.67 139.91 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.894 0.878 . . . . 75.32 110.815 170.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 62.1 p -103.01 132.84 48.98 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.76 0.824 . . . . 71.15 111.292 -178.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 34.1 t -141.97 158.77 43.38 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.159 0.984 . . . . 72.34 109.053 176.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -110.11 108.39 18.55 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.11 0.481 . . . . 73.52 110.41 -177.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.447 HG12 ' HG3' ' B' ' 61' ' ' GLU . 93.0 t -107.99 111.65 36.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.81 0.844 . . . . 72.42 109.036 175.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' GLU . . . . . 0.447 ' HG3' HG12 ' B' ' 60' ' ' VAL . 26.3 mt-10 61.83 32.26 18.12 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.984 1.313 . . . . 73.35 112.026 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.25 -26.39 10.31 Favored Glycine 0 CA--C 1.539 1.54 0 CA-C-N 116.411 -0.358 . . . . 75.35 113.952 -174.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -81.42 153.94 26.66 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.643 0.777 . . . . 74.4 112.972 -177.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 63.0 mt -77.43 114.99 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.761 0.824 . . . . 72.43 110.178 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -111.89 122.22 47.19 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.093 0.957 . . . . 60.12 108.995 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.466 HG11 HD21 ' B' ' 46' ' ' LEU . 16.7 m -128.32 154.12 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.256 0.622 . . . . 74.32 111.492 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.597 ' HA ' HD23 ' B' ' 19' ' ' LEU . 20.9 pttp -154.46 153.21 31.15 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 115.973 -0.558 . . . . 74.3 110.36 176.012 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.6 145.69 55.21 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 120.946 0.403 . . . . 75.13 111.708 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 CA--C 1.543 0.677 0 N-CA-C 108.919 -0.771 . . . . 75.53 108.919 171.136 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.1 mtm . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 121.087 0.47 . . . . 71.24 110.318 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -111.02 109.57 19.73 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.121 0.968 . . . . 34.33 110.071 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.2 mmt -83.46 147.99 27.51 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.015 0.926 . . . . 71.42 113.408 -173.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.94 -14.14 20.63 Favored 'General case' 0 CA--C 1.564 1.481 0 CA-C-N 114.615 -1.175 . . . . 74.24 112.031 168.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -65.96 -44.27 85.47 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.727 0.811 . . . . 64.45 111.727 173.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -61.6 -41.61 97.68 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.483 0.713 . . . . 74.13 110.874 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 57.2 tttm -55.67 -53.66 53.86 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 114.591 -1.186 . . . . 74.44 111.169 169.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.11 -29.64 67.52 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.405 1.082 . . . . 23.34 112.809 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.86 -36.54 52.44 Favored Glycine 0 CA--C 1.536 1.376 0 CA-C-N 115.845 -0.616 . . . . 73.12 113.519 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.55 -39.09 81.23 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.465 0.706 . . . . 73.2 110.997 174.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.423 HD22 ' HB3' ' A' ' 41' ' ' ASP . 70.8 mt -64.01 -41.16 97.55 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.883 0.873 . . . . 73.41 110.726 174.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.33 -42.08 86.02 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.55 0.74 . . . . 62.42 112.557 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.29 -54.34 38.72 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-N 115.652 -0.704 . . . . 31.23 113.741 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -67.97 -33.77 75.28 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 112.629 0.603 . . . . 63.13 112.629 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.501 HD12 ' HA3' ' A' ' 45' ' ' GLY . 87.5 mt -68.99 -43.18 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 C-N-CA 122.824 0.449 . . . . 74.11 111.003 176.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -59.88 -44.46 94.19 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 122.988 0.515 . . . . 75.14 111.082 174.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.31 -26.7 66.65 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.567 0.747 . . . . 75.52 112.328 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.46 -36.31 68.47 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.165 0.586 . . . . 61.41 111.317 173.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.1 mt -83.11 -15.7 49.75 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.705 0.802 . . . . 75.13 111.835 176.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -79.73 128.32 33.27 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.053 0.941 . . . . 75.21 109.396 173.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.24 -2.7 71.7 Favored Glycine 0 CA--C 1.541 1.7 0 N-CA-C 113.941 0.336 . . . . 50.03 113.941 -177.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.6 t -129.99 165.26 22.51 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.611 0.764 . . . . 72.31 110.734 175.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -93.31 -0.11 56.78 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 112.266 0.469 . . . . 72.23 112.266 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.32 140.18 3.65 Favored Glycine 0 C--N 1.352 1.42 0 N-CA-C 113.924 0.33 . . . . 62.41 113.924 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.0 mt -134.01 154.16 51.32 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.259 1.024 . . . . 71.21 109.928 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.526 ' HB ' ' HB3' ' A' ' 63' ' ' GLU . 38.0 p -92.28 173.24 7.92 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 110.005 -0.368 . . . . 71.4 110.005 171.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -51.03 -41.76 60.04 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 113.279 0.844 . . . . 71.32 113.279 -171.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.7 mttp -65.21 -43.49 91.37 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 112.773 0.657 . . . . 75.04 112.773 177.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.67 -31.95 63.73 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 112.189 0.44 . . . . 72.1 112.189 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.7 mt -67.06 -53.24 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.726 0.41 . . . . 74.34 110.205 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -62.96 -26.43 68.83 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 111.695 0.257 . . . . 74.54 111.695 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -66.79 -52.27 45.91 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.786 0.835 . . . . 75.44 110.452 174.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.72 -26.23 61.51 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 113.084 0.772 . . . . 72.41 113.084 -176.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.4 p -87.57 -17.8 31.17 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.975 0.91 . . . . 73.22 113.171 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HE3' ' HA ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER 72.25 19.34 4.46 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 124.725 1.21 . . . . 63.51 112.175 -172.272 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.505 HD22 ' HB2' ' A' ' 41' ' ' ASP . 73.5 mt -63.31 116.72 5.75 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.572 0.349 . . . . 72.32 110.675 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -68.26 -31.45 70.93 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.139 0.576 . . . . 44.02 110.857 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.51 147.72 47.26 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.754 0.822 . . . . 61.23 112.187 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -59.79 -24.02 63.78 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 125.268 1.427 . . . . 71.3 112.703 171.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -51.42 -44.17 62.21 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 124.611 1.164 . . . . 72.02 111.837 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.505 ' HB2' HD22 ' A' ' 36' ' ' LEU . 4.2 m-20 -74.63 -31.15 61.89 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.589 -1.187 . . . . 70.32 111.447 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -60.34 -43.55 96.35 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.58 0.752 . . . . 75.51 111.368 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -64.79 -42.77 94.8 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.191 0.597 . . . . 62.24 112.504 -176.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 mp -66.75 -47.68 71.49 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 123.156 0.582 . . . . 73.21 111.645 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.514 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -64.81 -45.86 91.36 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.242 -0.435 . . . . 55.14 113.103 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.2 tp -57.84 -41.3 82.02 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.252 1.021 . . . . 75.41 112.006 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.06 -31.23 80.01 Favored Glycine 0 N--CA 1.475 1.294 0 CA-C-N 115.249 -0.887 . . . . 73.5 112.423 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.486 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 22.3 t-105 -75.39 -28.07 59.32 Favored 'General case' 0 CA--C 1.562 1.439 0 C-N-CA 124.257 1.023 . . . . 73.34 111.578 177.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 45' ' ' GLY . 5.6 mp -73.24 -34.35 65.82 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.762 -0.586 . . . . 43.23 110.386 172.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.5 mt -67.79 -37.62 82.26 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.89 0.876 . . . . 73.24 111.868 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.625 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 8.5 ptt180 -61.73 -39.45 91.61 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 120.943 0.402 . . . . 64.32 111.756 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.625 ' HG3' ' HG3' ' A' ' 51' ' ' ARG . 53.1 mt-10 -93.36 -3.0 54.15 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.98 0.912 . . . . 73.03 111.966 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 64.39 27.51 13.64 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.102 0.961 . . . . 71.04 112.467 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -75.65 -20.7 58.3 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.344 0.658 . . . . 61.42 111.42 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.56 HG12 HD23 ' A' ' 68' ' ' LEU . 27.5 m -135.58 166.43 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-O 121.49 0.662 . . . . 63.02 111.959 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.3 p -127.41 134.0 66.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 124.438 1.095 . . . . 61.52 108.951 173.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.609 HG22 HG22 ' A' ' 66' ' ' VAL . 40.2 p -118.54 137.46 53.2 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.593 0.757 . . . . 72.43 111.14 -173.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -158.98 164.68 35.35 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.695 0.798 . . . . 75.33 110.082 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -95.57 129.92 42.6 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.359 0.6 . . . . 72.45 111.122 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.3 t -130.01 110.49 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.455 1.102 . . . . 72.32 108.425 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 55.83 31.95 18.65 Favored 'General case' 0 CA--C 1.566 1.582 0 C-N-CA 124.916 1.286 . . . . 74.22 113.556 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.36 -7.33 80.42 Favored Glycine 0 N--CA 1.481 1.667 0 N-CA-C 114.611 0.604 . . . . 42.21 114.611 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.526 ' HB3' ' HB ' ' A' ' 26' ' ' THR . 18.5 mm-40 -91.57 141.77 28.36 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.886 0.874 . . . . 72.51 112.065 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.9 mt -75.63 96.38 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.051 0 N-CA-C 109.513 -0.551 . . . . 71.21 109.513 168.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -86.37 119.41 26.61 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.793 0.837 . . . . 65.34 110.152 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.609 HG22 HG22 ' A' ' 57' ' ' THR . 22.0 t -125.27 144.99 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.637 0.775 . . . . 74.44 110.662 -176.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -158.21 155.16 28.51 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.665 0.386 . . . . 63.32 111.198 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.56 HD23 HG12 ' A' ' 55' ' ' VAL . 67.9 mt -63.37 140.78 58.91 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 122.676 0.39 . . . . 74.55 111.434 177.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.7 t -68.82 98.99 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 CA-C-O 121.345 0.593 . . . . 51.32 111.221 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.3 mt -103.14 -31.32 10.2 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.699 0.8 . . . . 73.43 110.158 174.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -157.79 159.32 36.62 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.719 0.808 . . . . 72.45 110.187 -174.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 -72.5 146.17 47.01 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.051 0.54 . . . . 71.4 111.767 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -138.13 124.96 21.11 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.317 0.647 . . . . 74.2 112.142 -175.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -102.95 24.56 10.55 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.682 0.793 . . . . 71.34 111.653 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -69.5 81.96 0.4 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.36 0.664 . . . . 74.33 109.708 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -82.44 88.23 6.61 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-O 121.819 0.818 . . . . 65.3 111.318 -173.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 . . . . . 0 N--CA 1.479 0.997 0 CA-C-N 115.528 -0.76 . . . . 73.42 110.191 -175.213 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.0 tpp . . . . . 0 CA--C 1.55 0.953 0 CA-C-O 120.922 0.391 . . . . 52.34 110.698 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -76.21 100.15 4.96 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 121.392 0.615 . . . . 44.22 110.933 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 71.2 mtm -100.8 167.48 10.27 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.838 0.855 . . . . 64.41 111.736 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.403 ' HA ' ' HG3' ' B' ' 7' ' ' LYS . 7.3 mp -71.29 -15.38 62.42 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.25 0.62 . . . . 54.3 111.693 172.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -74.07 -38.03 64.06 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.071 0.462 . . . . 74.32 110.342 167.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -67.08 -40.1 86.94 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.742 -0.663 . . . . 75.03 111.693 -175.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.403 ' HG3' ' HA ' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -72.12 -27.23 62.5 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 111.835 0.309 . . . . 74.32 111.835 175.343 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.06 -45.2 89.85 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.071 0.548 . . . . 62.41 110.766 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.36 -40.25 94.5 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 115.216 -0.902 . . . . 71.21 113.46 174.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.56 85.7 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.483 0.713 . . . . 61.04 112.318 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.48 ' O ' HG12 ' B' ' 15' ' ' ILE . 97.0 mt -65.07 -31.78 73.16 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.232 0.613 . . . . 74.54 112.386 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.424 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -54.2 -30.41 49.61 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 113.086 0.773 . . . . 73.35 113.086 -177.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.99 -53.28 44.08 Favored Glycine 0 CA--C 1.538 1.515 0 CA-C-N 116.003 -0.544 . . . . 51.03 114.023 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -74.44 -32.26 62.56 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 112.603 0.594 . . . . 73.34 112.603 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.48 HG12 ' O ' ' B' ' 11' ' ' LEU . 43.1 mm -63.54 -44.35 98.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 C-N-CA 122.938 0.495 . . . . 74.12 109.771 174.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -60.17 -44.38 95.07 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 115.3 -0.863 . . . . 70.14 111.571 172.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.14 -33.51 73.52 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 112.885 0.698 . . . . 71.03 112.885 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.87 -36.01 82.23 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-O 120.868 0.366 . . . . 74.13 111.215 174.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.535 HD21 HD11 ' B' ' 30' ' ' ILE . 98.1 mt -81.1 -19.78 42.88 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.628 0.771 . . . . 63.22 112.557 176.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -67.84 121.82 16.82 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.712 0.805 . . . . 71.44 111.133 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.46 8.3 85.15 Favored Glycine 0 CA--C 1.538 1.489 0 N-CA-C 114.458 0.543 . . . . 70.23 114.458 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 31.7 p -118.54 167.57 11.48 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 117.464 0.632 . . . . 71.05 111.6 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -81.67 12.0 4.27 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.224 1.01 . . . . 72.41 111.399 171.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.2 148.13 18.28 Favored Glycine 0 C--N 1.345 1.061 0 C-N-CA 123.512 0.577 . . . . 52.45 112.277 -171.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.457 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 67.5 mt -128.51 160.55 31.98 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.703 0.801 . . . . 73.11 110.164 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 46.3 p -83.47 169.92 15.0 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.975 -0.557 . . . . 74.2 110.716 172.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -55.78 -41.05 73.49 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.604 0.761 . . . . 74.35 112.71 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -72.66 -36.19 67.9 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.948 0.899 . . . . 72.1 112.598 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.457 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 52.6 mt-30 -66.46 -41.39 89.12 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.722 0.409 . . . . 75.53 111.105 177.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.535 HD11 HD21 ' B' ' 19' ' ' LEU . 70.3 mt -66.93 -49.81 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 123.151 0.58 . . . . 72.24 110.855 174.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -54.74 -39.24 68.08 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 124.46 1.104 . . . . 61.13 112.266 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -66.63 -48.64 68.83 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.078 0.951 . . . . 70.14 110.941 175.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.93 -27.61 66.77 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.591 0.757 . . . . 64.11 112.622 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.471 HG21 HD13 ' B' ' 15' ' ' ILE . 72.9 p -94.55 -13.96 25.51 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.829 0.852 . . . . 73.05 112.732 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 60.1 tttp 70.74 29.45 3.2 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 124.58 1.152 . . . . 62.32 111.535 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 73.0 mt -74.29 124.42 26.41 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 121.453 -0.779 . . . . 72.45 110.654 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -75.03 -49.02 21.18 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.929 0.892 . . . . 73.51 110.798 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.76 136.26 43.79 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.111 0.965 . . . . 63.44 110.546 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -68.34 -23.93 64.75 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.788 0.835 . . . . 73.52 111.925 176.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -52.82 -32.91 46.69 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.199 1.0 . . . . 65.11 112.452 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -73.99 -35.41 64.45 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 124.301 1.04 . . . . 75.03 111.491 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.81 -42.48 75.72 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.948 0.899 . . . . 75.51 112.101 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -62.64 -33.91 75.99 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.389 0.676 . . . . 64.43 112.325 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -73.47 -36.7 65.89 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 123.303 0.641 . . . . 71.34 111.184 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLY . . . . . 0.447 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -69.12 -50.09 36.19 Favored Glycine 0 CA--C 1.538 1.519 0 CA-C-N 116.526 -0.306 . . . . 74.12 112.491 174.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.15 -36.32 77.28 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.824 1.249 . . . . 73.33 111.823 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.35 -31.12 79.81 Favored Glycine 0 N--CA 1.473 1.155 0 CA-C-N 115.502 -0.772 . . . . 51.5 112.585 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' TRP . . . . . 0.424 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 10.7 t-105 -75.83 -28.22 58.18 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 123.716 0.807 . . . . 72.33 111.196 176.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.543 HD23 HG11 ' B' ' 55' ' ' VAL . 6.5 mp -70.56 -36.73 73.79 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.229 0.612 . . . . 75.1 110.639 171.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.509 HD21 HG23 ' B' ' 57' ' ' THR . 86.4 mt -71.47 -37.48 71.34 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.843 0.857 . . . . 53.12 112.171 177.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.623 ' HG3' ' HG3' ' B' ' 52' ' ' GLU . 5.9 ptt180 -59.76 -36.03 75.81 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 112.142 0.423 . . . . 74.43 112.142 -178.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.623 ' HG3' ' HG3' ' B' ' 51' ' ' ARG . 45.5 mt-10 -101.74 -2.26 30.58 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.747 0.819 . . . . 73.12 111.905 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 34.5 t70 64.18 27.8 14.0 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 124.28 1.032 . . . . 72.23 111.802 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.49 ' HE3' ' HB2' ' B' ' 52' ' ' GLU . 16.2 ptpt -82.34 0.2 42.83 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 121.33 -0.856 . . . . 73.2 111.695 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.543 HG11 HD23 ' B' ' 49' ' ' LEU . 28.9 m -136.12 163.91 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 123.925 0.89 . . . . 71.42 112.672 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.412 HG13 HG23 ' B' ' 69' ' ' VAL . 15.9 m -116.17 136.04 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.918 1.287 . . . . 73.54 110.803 168.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' THR . . . . . 0.509 HG23 HD21 ' B' ' 50' ' ' LEU . 17.0 p -103.82 148.17 26.43 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.545 0.688 . . . . 74.43 112.75 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 67.9 m -149.08 171.31 16.63 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.744 1.617 . . . . 72.03 109.312 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -122.67 123.94 42.28 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 122.057 -0.402 . . . . 73.33 109.931 172.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 64.7 t -110.28 108.09 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.529 0.732 . . . . 62.32 109.332 172.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 57.7 36.03 26.2 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.984 1.313 . . . . 51.31 113.42 172.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.95 7.89 83.19 Favored Glycine 0 N--CA 1.48 1.628 0 N-CA-C 114.584 0.593 . . . . 64.35 114.584 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -117.92 147.33 43.23 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.678 0.791 . . . . 72.0 110.024 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 61.6 mt -71.11 122.35 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 122.638 0.375 . . . . 52.41 110.841 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -114.24 134.33 55.0 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 108.682 -0.859 . . . . 54.31 108.682 170.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.2 149.11 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 122.86 0.464 . . . . 61.14 110.715 176.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -138.23 158.67 43.84 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.073 0.949 . . . . 72.51 108.877 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 78.8 mt -67.0 144.34 56.26 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 119.102 0.864 . . . . 73.31 110.911 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.412 HG23 HG13 ' B' ' 56' ' ' VAL . 6.7 p -74.43 1.96 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 C-N-CA 123.775 0.83 . . . . 75.23 112.961 -174.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 84.0 mt -54.64 -54.18 44.92 Favored 'General case' 0 CA--C 1.56 1.339 0 C-N-CA 124.797 1.239 . . . . 75.02 113.536 -171.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -149.74 -172.28 4.11 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 122.737 0.415 . . . . 75.23 111.706 -176.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -136.2 76.43 1.6 Allowed 'General case' 0 CA--C 1.566 1.585 0 N-CA-C 113.687 0.995 . . . . 75.11 113.687 -174.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -75.73 76.66 2.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.638 -0.664 . . . . 75.33 110.098 163.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -88.64 91.16 8.7 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-O 121.281 0.563 . . . . 71.22 110.588 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -109.49 133.78 52.68 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.095 0.958 . . . . 73.11 109.258 171.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 64.11 -161.16 0.29 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 124.064 0.946 . . . . 74.34 111.048 -173.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 13.5 t60 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 121.463 0.649 . . . . 62.4 110.847 -179.703 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.419 ' HG2' ' HG3' ' A' ' 6' ' ' GLU . 56.6 ttm . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 119.529 -0.272 . . . . 53.24 111.702 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -61.33 95.15 0.04 OUTLIER 'General case' 0 CA--C 1.562 1.425 0 CA-C-O 121.195 0.521 . . . . 62.02 111.707 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 61.9 mtm -134.25 165.02 26.07 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 124.632 1.173 . . . . 53.22 110.457 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.13 -31.32 68.84 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 122.682 0.393 . . . . 55.51 111.276 174.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -60.35 -50.16 74.72 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.592 1.157 . . . . 62.41 111.842 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.419 ' HG3' ' HG2' ' A' ' 1' ' ' MET . 10.6 tm-20 -74.22 -50.56 18.61 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.982 0.913 . . . . 73.31 112.123 -170.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -59.18 -32.62 70.08 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.297 0.48 . . . . 64.24 112.297 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.5 -32.87 65.45 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.095 0.558 . . . . 64.14 111.497 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.19 -38.14 47.37 Favored Glycine 0 CA--C 1.536 1.353 0 CA-C-N 115.715 -0.675 . . . . 34.34 113.681 175.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.77 -49.79 60.54 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.167 0.587 . . . . 74.21 111.451 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.0 mt -58.33 -38.9 78.07 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.296 1.038 . . . . 74.14 111.038 174.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.572 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -57.23 -45.99 83.39 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.782 0.66 . . . . 42.01 112.782 177.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -52.86 50.62 Favored Glycine 0 C--N 1.345 1.039 0 CA-C-N 115.655 -0.702 . . . . 71.04 113.611 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -68.42 -33.18 73.75 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 112.877 0.695 . . . . 74.14 112.877 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.442 HD12 ' HA3' ' A' ' 45' ' ' GLY . 84.2 mt -66.92 -49.63 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 122.515 0.326 . . . . 63.41 111.03 175.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.422 ' NE1' ' HB3' ' A' ' 54' ' ' LYS . 84.6 t90 -61.36 -44.51 97.04 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.062 0.545 . . . . 75.33 111.709 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -62.0 -32.7 73.2 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.2 0.6 . . . . 75.04 112.186 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.57 -31.35 62.04 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.995 0.518 . . . . 75.33 111.591 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.7 mt -75.2 -25.98 58.63 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.612 0.765 . . . . 64.42 111.864 173.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -74.29 139.07 43.99 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 121.038 0.447 . . . . 72.02 112.038 -173.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.44 -1.06 81.53 Favored Glycine 0 C--N 1.346 1.134 0 CA-C-N 115.725 -0.671 . . . . 55.12 113.055 -175.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 p -126.63 178.85 5.64 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.257 0.623 . . . . 64.43 110.376 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -82.31 2.55 31.61 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 112.574 0.583 . . . . 71.55 112.574 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.442 ' HA3' ' HA ' ' A' ' 67' ' ' LYS . . . 98.68 144.1 16.13 Favored Glycine 0 C--N 1.35 1.306 0 CA-C-O 120.194 -0.225 . . . . 22.12 112.629 -170.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.538 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 3.1 mm? -116.82 163.96 15.38 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 117.582 0.691 . . . . 72.41 112.061 -173.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.3 p -81.39 165.4 21.35 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 115.699 -0.682 . . . . 74.31 110.154 172.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -52.67 -41.01 63.45 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.139 0.576 . . . . 73.03 111.763 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -60.25 -52.18 66.4 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.483 0.713 . . . . 72.13 112.665 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 16.6 mm-40 -66.48 -36.26 82.31 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.166 0.587 . . . . 73.33 112.366 -176.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.4 mt -65.18 -43.03 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.18 0.592 . . . . 72.11 110.45 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -68.47 -26.61 65.58 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.798 0.839 . . . . 61.25 111.316 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -70.33 -54.34 12.95 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.262 0.625 . . . . 73.1 111.103 168.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.23 -35.72 78.01 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.941 0.896 . . . . 62.42 113.392 -174.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.6 p -102.63 -12.46 17.7 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.643 0.777 . . . . 54.4 112.083 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt 50.34 41.22 24.28 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 126.152 1.781 . . . . 73.12 113.857 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.61 137.24 56.6 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 114.89 -1.05 . . . . 74.51 111.654 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -69.28 -60.37 2.39 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.695 0.798 . . . . 71.13 110.406 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.86 148.92 21.8 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.171 -0.922 . . . . 60.02 110.79 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -61.2 -27.31 68.34 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 115.547 -0.751 . . . . 60.31 110.879 164.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -61.33 -29.02 69.63 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.152 0.981 . . . . 64.01 112.468 175.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -64.46 -40.29 95.42 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 120.921 0.391 . . . . 70.23 110.288 173.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -68.3 -36.47 79.4 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.6 -0.727 . . . . 55.23 111.317 176.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -69.19 -38.3 78.57 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 112.678 0.622 . . . . 72.14 112.678 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mp -70.42 -42.4 71.64 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 122.614 0.366 . . . . 62.14 110.909 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.449 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -61.94 -54.51 34.56 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-N 116.308 -0.406 . . . . 73.41 113.342 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 64.0 tp -61.54 -32.43 72.49 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.02 0.928 . . . . 75.12 111.751 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.02 -33.16 86.49 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 121.243 0.357 . . . . 71.11 112.463 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.572 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 21.7 t-105 -77.71 -35.42 52.06 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 122.993 0.517 . . . . 72.24 110.622 173.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.681 HD23 HG11 ' A' ' 55' ' ' VAL . 6.2 mp -56.77 -33.7 66.87 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.898 -0.501 . . . . 63.24 111.635 172.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.451 ' O ' ' HE3' ' B' ' 5' ' ' LYS . 93.2 mt -66.74 -43.39 84.28 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 123.362 0.665 . . . . 45.35 112.029 174.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -73.27 -17.95 61.27 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.788 -0.57 . . . . 75.21 111.386 178.096 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.495 ' HB3' ' HG3' ' A' ' 54' ' ' LYS . 17.3 mm-40 -83.61 -31.87 26.04 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.244 0.618 . . . . 73.04 110.195 174.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.4 t0 62.72 31.66 16.51 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.711 1.204 . . . . 42.42 110.384 -175.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.495 ' HG3' ' HB3' ' A' ' 52' ' ' GLU . 54.2 mtmt -91.77 -4.08 55.4 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 115.159 -0.928 . . . . 64.4 112.1 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.681 HG11 HD23 ' A' ' 49' ' ' LEU . 30.2 m -127.32 150.75 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 112.88 0.696 . . . . 62.11 112.88 -177.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.2 t -107.4 122.03 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 108.324 -0.991 . . . . 64.24 108.324 167.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.405 ' O ' ' SD ' ' B' ' 3' ' ' MET . 27.9 p -103.74 132.07 50.34 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.617 0.599 . . . . 73.35 112.617 -169.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.4 m -135.34 167.63 20.69 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.449 0.699 . . . . 63.45 110.578 176.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -127.7 122.84 33.98 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.277 0.631 . . . . 53.15 109.796 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 67.0 t -115.82 108.51 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.857 0.863 . . . . 51.3 109.657 -177.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 49.7 49.76 19.5 Favored 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 125.115 1.366 . . . . 73.01 113.651 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.85 -22.75 39.22 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 115.031 0.773 . . . . 24.53 115.031 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -107.85 157.12 18.43 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 117.646 0.723 . . . . 72.22 111.852 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.6 mt -82.53 125.36 39.9 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.302 0 C-N-CA 123.368 0.667 . . . . 63.52 110.995 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.43 ' CE2' ' HD2' ' A' ' 67' ' ' LYS . 35.3 t80 -124.67 104.02 8.44 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.093 0.957 . . . . 75.44 109.44 176.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.9 m -108.2 137.68 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-O 121.948 0.88 . . . . 71.05 112.603 -174.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.442 ' HA ' ' HA3' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -113.07 179.3 4.0 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.168 1.387 . . . . 75.1 108.333 -177.726 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.445 HD23 HG12 ' A' ' 55' ' ' VAL . 58.0 mt -108.45 149.1 29.23 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.688 -0.632 . . . . 75.44 112.114 176.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.1 t -70.81 101.38 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 N-CA-C 108.113 -1.069 . . . . 73.14 108.113 162.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.81 -20.15 66.14 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.742 0.817 . . . . 61.21 111.959 -176.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -67.19 101.99 0.98 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.456 0.702 . . . . 74.41 109.483 168.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -124.06 144.25 49.97 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 112.712 0.634 . . . . 73.43 112.712 -172.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -113.66 -13.17 12.73 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.027 0.931 . . . . 74.41 110.806 169.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -113.93 159.62 19.7 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.215 1.006 . . . . 71.53 111.012 173.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.3 p80 -110.58 176.38 5.06 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.127 0.571 . . . . 61.41 111.911 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -82.23 136.79 35.02 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.069 0.947 . . . . 65.1 112.073 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 . . . . . 0 CA--C 1.552 1.051 0 CA-C-O 121.256 0.55 . . . . 74.1 110.27 174.868 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 CA--C 1.542 0.652 0 CA-C-O 121.042 0.449 . . . . 73.03 110.652 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -101.15 -3.77 28.53 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.192 0.597 . . . . 73.01 111.452 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.504 ' HG3' ' H ' ' B' ' 5' ' ' LYS . 45.6 tpp -61.06 141.74 57.17 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.306 1.042 . . . . 70.23 111.929 177.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.47 ' HA ' ' HG3' ' B' ' 7' ' ' LYS . 82.3 mt -63.53 -24.08 67.66 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 112.065 0.394 . . . . 65.32 112.065 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.504 ' H ' ' HG3' ' B' ' 3' ' ' MET . 23.1 tptm -62.34 -43.62 98.39 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.475 1.11 . . . . 71.21 111.292 170.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -74.56 -47.06 34.86 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.142 0.577 . . . . 65.2 111.746 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.47 ' HG3' ' HA ' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -64.67 -25.02 67.77 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.109 0.164 . . . . 73.21 111.248 177.614 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.14 -44.49 87.86 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.823 0.449 . . . . 65.21 111.023 170.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.28 -41.5 78.72 Favored Glycine 0 C--N 1.35 1.355 0 CA-C-N 115.885 -0.598 . . . . 61.02 113.691 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.46 94.62 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.368 0.667 . . . . 74.12 112.134 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 65.3 mt -68.74 -38.62 80.28 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.473 -0.785 . . . . 74.52 111.02 175.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.495 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -54.39 -41.15 68.89 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 112.926 0.713 . . . . 71.1 112.926 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.82 -53.76 43.6 Favored Glycine 0 C--N 1.346 1.113 0 O-C-N 123.595 0.559 . . . . 60.31 113.451 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -74.65 -29.8 61.38 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 112.761 0.652 . . . . 74.33 112.761 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.402 HD12 ' HA3' ' B' ' 45' ' ' GLY . 77.9 mt -67.76 -47.65 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 C-N-CA 122.716 0.407 . . . . 61.24 110.739 175.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -62.69 -41.52 99.15 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.887 0.475 . . . . 72.23 110.991 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.05 -27.31 67.28 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 112.892 0.701 . . . . 72.22 112.892 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.97 73.13 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 121.082 0.468 . . . . 51.42 110.744 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.471 HD22 ' HA2' ' B' ' 24' ' ' GLY . 99.8 mt -76.75 -23.46 52.99 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.836 0.854 . . . . 75.12 111.944 174.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -79.43 143.37 35.07 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.263 0.625 . . . . 73.24 110.198 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.29 -13.35 67.5 Favored Glycine 0 CA--C 1.535 1.323 0 CA-C-N 115.866 -0.606 . . . . 73.24 112.22 -166.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 31.1 p -134.65 -177.39 4.59 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 124.067 0.947 . . . . 74.34 110.348 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 67' ' ' LYS . 5.4 mp0 -100.75 25.07 8.28 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.34 0.656 . . . . 62.23 110.862 177.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.703 ' HA3' ' HA ' ' B' ' 67' ' ' LYS . . . 98.08 173.77 33.02 Favored Glycine 0 CA--C 1.536 1.347 0 N-CA-C 115.384 0.914 . . . . 63.14 115.384 177.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 88.3 mt -150.41 167.22 27.75 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 124.985 1.314 . . . . 62.42 110.106 -174.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 65' ' ' PHE . 39.0 p -78.59 164.89 24.28 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 109.955 -0.387 . . . . 73.31 109.955 170.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -49.73 -47.46 50.62 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.219 1.008 . . . . 73.23 112.045 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -68.42 -35.74 78.07 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 124.178 0.991 . . . . 70.31 112.121 -178.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.455 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 97.6 mt-30 -73.17 -33.67 65.59 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.091 0.556 . . . . 64.02 112.054 176.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.5 mt -67.6 -43.66 86.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 123.253 0.621 . . . . 74.33 110.414 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -59.81 -27.36 66.52 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.749 0.819 . . . . 73.42 112.211 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -69.95 -43.27 71.9 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 123.786 0.834 . . . . 62.11 111.366 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.59 -41.79 44.93 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.597 0.759 . . . . 71.12 112.434 -177.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 77.4 p -81.62 -17.21 48.98 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.829 0.852 . . . . 63.32 112.718 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm 69.28 20.52 7.41 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.961 1.304 . . . . 73.52 112.106 -176.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 71.3 mt -72.49 110.11 6.64 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.999 0.52 . . . . 72.34 110.541 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -67.14 -48.49 67.89 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.116 0.966 . . . . 71.41 111.338 177.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.2 147.18 28.18 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 121.423 0.63 . . . . 51.42 112.146 -177.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -69.82 -36.22 75.44 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.817 0.847 . . . . 73.54 110.721 171.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -53.66 -44.57 69.77 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 125.696 1.598 . . . . 74.45 113.957 -174.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.21 -31.63 70.36 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.069 -0.514 . . . . 51.24 111.33 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -65.28 -42.32 93.3 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 116.067 -0.515 . . . . 75.15 111.627 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -62.27 -46.01 90.72 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 112.512 0.56 . . . . 74.11 112.512 -175.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mp -68.17 -39.74 82.49 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.921 0.489 . . . . 74.12 111.195 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLY . . . . . 0.465 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -61.63 -48.37 84.83 Favored Glycine 0 CA--C 1.539 1.544 0 CA-C-N 116.568 -0.287 . . . . 42.41 112.893 173.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.06 -34.3 76.0 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.204 1.002 . . . . 70.44 111.689 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.67 -31.87 82.25 Favored Glycine 0 N--CA 1.471 0.976 0 CA-C-N 116.097 -0.501 . . . . 61.24 112.102 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' TRP . . . . . 0.495 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 12.0 t-105 -78.7 -29.98 45.77 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 123.461 0.705 . . . . 74.15 111.337 176.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.607 HD23 HG11 ' B' ' 55' ' ' VAL . 6.6 mp -64.8 -40.81 95.83 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 122.844 0.458 . . . . 71.12 110.867 170.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.3 mt -72.42 -34.15 67.63 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.172 0.989 . . . . 51.33 111.968 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -62.96 -26.7 68.96 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 122.761 0.424 . . . . 75.41 111.781 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.476 ' HB2' ' HE2' ' B' ' 54' ' ' LYS . 52.0 mt-10 -106.97 -4.27 19.24 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.459 0.704 . . . . 73.24 112.216 176.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 62.9 35.09 13.72 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.918 0.887 . . . . 71.34 111.67 175.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.476 ' HE2' ' HB2' ' B' ' 52' ' ' GLU . 47.9 mtmt -86.46 -8.66 57.42 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.634 0.774 . . . . 64.55 111.799 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.607 HG11 HD23 ' B' ' 49' ' ' LEU . 33.3 m -133.01 155.44 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 123.202 0.601 . . . . 60.11 112.276 -178.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 47.0 t -111.43 124.95 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.976 0.911 . . . . 54.33 109.24 169.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 26.6 p -103.26 146.33 28.6 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 121.676 0.75 . . . . 74.04 111.86 -176.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 64.1 m -149.17 172.56 14.63 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.002 1.321 . . . . 64.15 109.576 -174.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -116.17 109.25 17.2 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.964 -0.46 . . . . 54.22 110.374 175.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 74.6 t -117.8 123.54 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.834 0.853 . . . . 53.13 110.223 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 61.75 35.66 16.67 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.313 1.045 . . . . 74.41 111.796 174.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.43 -27.26 4.73 Favored Glycine 0 CA--C 1.534 1.272 0 CA-C-N 115.885 -0.598 . . . . 73.21 114.541 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -96.52 174.7 6.71 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.653 0.739 . . . . 74.25 112.251 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 62.4 mt -77.71 138.83 19.65 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.154 0 CA-C-N 115.434 -0.803 . . . . 64.41 111.104 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' PHE . . . . . 0.463 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 86.3 t80 -116.76 135.25 53.91 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.341 1.056 . . . . 75.44 108.873 171.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 48.7 t -131.05 113.01 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 123.321 0.649 . . . . 73.32 109.855 -177.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.703 ' HA ' ' HA3' ' B' ' 24' ' ' GLY . 15.6 pttp -110.73 169.16 8.94 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 109.314 -0.624 . . . . 74.0 109.314 174.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.419 HD23 HG12 ' B' ' 55' ' ' VAL . 48.1 mt -88.06 150.68 23.25 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 118.488 0.586 . . . . 61.54 111.383 176.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 86.8 t -75.21 -36.81 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 109.125 -0.695 . . . . 72.21 109.125 166.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 64.0 mt -89.64 77.22 7.2 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.306 0.642 . . . . 62.05 110.286 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -78.93 152.16 31.26 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.971 0.508 . . . . 73.12 110.548 176.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -82.93 -179.25 7.39 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 113.423 0.897 . . . . 62.32 113.423 -168.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -108.61 102.44 11.51 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.783 0.833 . . . . 75.33 110.173 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -73.74 103.36 4.27 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.061 0.544 . . . . 73.13 111.769 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -73.01 -36.91 67.11 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.823 0.849 . . . . 72.31 110.538 173.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -145.4 133.23 21.18 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.009 0.924 . . . . 75.34 110.741 175.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 . . . . . 0 CA--C 1.549 0.923 0 C-N-CA 123.967 0.907 . . . . 65.52 110.567 177.658 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.7 tpp . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 121.1 0.476 . . . . 65.53 110.854 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.36 31.35 11.78 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 115.007 1.484 . . . . 75.22 115.007 170.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 94.6 mmm -74.67 154.7 38.35 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.878 -0.514 . . . . 72.4 111.656 174.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.0 tp -60.88 -31.9 71.36 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.808 0.843 . . . . 54.05 112.249 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -73.7 -45.3 53.1 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 123.269 0.628 . . . . 72.05 111.515 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.76 -32.07 59.79 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 112.297 0.48 . . . . 72.1 112.297 -174.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -28.32 68.48 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 120.739 0.304 . . . . 74.4 110.75 175.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.74 -40.64 93.15 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.353 0.661 . . . . 62.13 110.739 170.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.84 -35.76 65.81 Favored Glycine 0 CA--C 1.543 1.792 0 CA-C-N 115.908 -0.587 . . . . 72.05 114.118 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.2 -46.09 88.65 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.258 0.623 . . . . 74.23 111.608 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.542 HD13 ' HB3' ' A' ' 41' ' ' ASP . 70.5 mt -72.58 -31.69 65.41 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.644 0.778 . . . . 72.45 111.116 177.044 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.12 -44.88 75.41 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.146 0.979 . . . . 74.4 112.315 176.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.6 -49.0 67.41 Favored Glycine 0 CA--C 1.535 1.334 0 CA-C-N 115.372 -0.831 . . . . 35.53 113.401 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -62.34 -43.93 97.67 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.969 0.908 . . . . 73.11 112.208 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.548 HG23 HG21 ' A' ' 30' ' ' ILE . 86.3 mt -64.36 -42.79 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 123.583 0.753 . . . . 74.2 111.318 178.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -58.73 -44.78 90.54 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 123.802 0.841 . . . . 73.15 110.917 175.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.68 -30.26 69.75 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.88 0.872 . . . . 73.43 112.637 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.0 79.72 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 121.272 0.558 . . . . 64.24 110.751 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.457 HD12 HD13 ' A' ' 25' ' ' LEU . 6.1 mp -81.94 -20.64 38.23 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.213 1.005 . . . . 73.12 111.921 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -67.02 120.71 14.1 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 122.966 0.506 . . . . 75.25 111.448 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.46 16.07 79.95 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 115.946 -0.57 . . . . 64.32 114.282 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.1 p -122.55 169.17 11.28 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.189 0.596 . . . . 72.22 111.238 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -87.73 10.5 18.09 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.398 0.679 . . . . 74.04 112.38 172.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.491 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 104.36 152.56 22.29 Favored Glycine 0 C--N 1.346 1.139 0 N-CA-C 114.662 0.625 . . . . 44.34 114.662 175.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.457 HD13 HD12 ' A' ' 19' ' ' LEU . 5.5 mp -129.08 153.01 48.06 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 124.156 0.982 . . . . 63.44 109.595 -178.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.9 p -87.74 172.91 9.32 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.323 0.649 . . . . 64.22 110.394 174.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -59.58 -34.82 73.19 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 112.332 0.493 . . . . 62.11 112.332 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -62.95 -46.48 87.57 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.665 0.786 . . . . 71.44 112.255 172.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.426 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 52.4 mt-30 -66.26 -47.86 72.35 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.304 0.642 . . . . 74.41 112.421 -177.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.548 HG21 HG23 ' A' ' 15' ' ' ILE . 57.5 mt -69.75 -44.92 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 123.331 0.652 . . . . 72.35 111.841 -176.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -53.18 -42.53 66.32 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.894 0.877 . . . . 73.32 111.544 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -70.15 -45.78 66.08 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 123.857 0.863 . . . . 64.42 111.57 173.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.18 -22.94 63.88 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 113.355 0.872 . . . . 71.31 113.355 -174.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.6 p -107.81 -7.04 16.43 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 124.075 0.95 . . . . 71.14 111.433 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt 66.66 29.19 8.89 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.902 1.281 . . . . 75.25 111.798 176.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.02 119.06 10.72 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.906 0.482 . . . . 64.52 111.588 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -55.4 -37.66 67.89 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.655 1.182 . . . . 72.14 112.224 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -133.49 147.68 51.66 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.757 0.823 . . . . 71.44 110.849 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.5 -24.2 66.43 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 115.17 -0.923 . . . . 70.35 111.645 170.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -60.36 -35.29 75.35 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.903 0.881 . . . . 73.23 112.201 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.542 ' HB3' HD13 ' A' ' 11' ' ' LEU . 25.3 m-20 -66.25 -38.14 87.16 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.714 0.806 . . . . 70.1 110.632 173.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -67.87 -42.02 81.93 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 114.971 -1.013 . . . . 75.12 112.693 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -63.47 -39.53 94.71 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 122.886 0.475 . . . . 61.4 112.141 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -71.36 -35.83 71.28 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.392 0.677 . . . . 61.44 111.038 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.49 -59.52 8.71 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 116.194 -0.457 . . . . 62.23 113.428 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -29.31 70.19 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.0 0.52 . . . . 60.1 110.413 177.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.79 -29.98 71.64 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-N 116.046 -0.525 . . . . 75.02 112.517 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.622 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 10.8 t-105 -72.79 -41.58 64.83 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 122.595 0.358 . . . . 74.44 110.548 171.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.696 HD23 HG11 ' A' ' 55' ' ' VAL . 6.1 mp -56.25 -30.1 61.95 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 123.941 0.896 . . . . 55.43 112.435 176.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.0 mt -67.0 -39.52 87.13 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.692 0.797 . . . . 70.22 112.448 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.622 ' HE ' ' HA ' ' A' ' 48' ' ' TRP . 15.3 ptp180 -73.92 -25.92 60.24 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 121.014 0.435 . . . . 73.52 110.793 178.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -78.69 -27.9 45.12 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.415 0.686 . . . . 74.1 110.318 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 56.05 27.71 11.76 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.885 1.274 . . . . 55.11 112.205 -174.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -85.91 -1.25 57.11 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 115.733 -0.667 . . . . 74.52 110.979 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.696 HG11 HD23 ' A' ' 49' ' ' LEU . 28.0 m -128.09 152.69 36.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 123.786 0.835 . . . . 62.51 111.933 176.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 p -114.1 127.43 71.52 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 124.27 1.028 . . . . 74.21 109.669 167.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.613 ' HB ' HD12 ' B' ' 4' ' ' LEU . 52.2 p -105.95 133.25 50.96 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.959 0.904 . . . . 72.34 110.92 -174.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.41 ' HB3' ' HD2' ' A' ' 65' ' ' PHE . 38.6 t -122.33 143.42 49.65 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.963 0.905 . . . . 74.21 110.194 174.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -95.14 104.05 15.92 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 109.342 -0.614 . . . . 75.25 109.342 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.3 t -111.08 108.28 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 123.457 0.703 . . . . 72.43 110.21 -177.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 57.98 38.92 26.88 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.889 1.276 . . . . 72.44 112.863 171.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.35 -1.92 86.2 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 114.782 0.673 . . . . 72.34 114.782 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -114.59 160.34 19.39 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.554 0.742 . . . . 61.11 112.005 -177.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.41 HG23 HD13 ' B' ' 4' ' ' LEU . 63.0 mt -82.82 113.62 22.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 115.185 -0.916 . . . . 62.44 111.561 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.41 ' HD2' ' HB3' ' A' ' 58' ' ' SER . 73.8 t80 -106.27 128.58 54.08 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 107.584 -1.265 . . . . 74.42 107.584 165.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.445 HG13 HD21 ' A' ' 19' ' ' LEU . 7.1 p -139.68 143.23 30.96 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-O 120.866 0.365 . . . . 60.21 111.164 -177.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.491 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 21.4 ptmt -143.05 167.45 22.04 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.652 0.781 . . . . 75.33 109.626 174.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.451 HD23 HG12 ' A' ' 55' ' ' VAL . 24.6 mt -68.6 149.27 49.36 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 118.421 0.555 . . . . 53.41 111.172 173.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.3 t -65.72 108.12 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 109.42 -0.585 . . . . 63.53 109.42 170.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.9 mt -74.47 85.71 2.03 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 109.172 -0.677 . . . . 74.52 109.172 175.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -61.42 -40.53 94.75 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.844 0.858 . . . . 71.32 111.173 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -91.26 110.54 21.83 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 114.926 -1.033 . . . . 63.2 109.355 -177.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -105.2 62.53 0.69 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.682 0.793 . . . . 61.42 111.014 -176.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -85.46 97.25 9.92 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.167 0.587 . . . . 64.43 110.862 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -115.55 118.36 32.92 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.191 0.997 . . . . 73.43 109.761 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -64.96 -33.85 77.03 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 123.583 0.753 . . . . 73.3 112.932 -172.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 . . . . . 0 N--CA 1.485 1.308 0 C-N-CA 123.113 0.565 . . . . 71.0 111.743 178.801 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 36.3 mmt . . . . . 0 CA--C 1.547 0.832 0 CA-C-O 120.837 0.351 . . . . 75.43 110.936 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -79.15 141.48 37.22 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.569 0.348 . . . . 51.21 111.177 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.7 tpt -134.58 171.65 14.03 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 112.601 0.593 . . . . 44.13 112.601 -167.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.613 HD12 ' HB ' ' A' ' 57' ' ' THR . 96.7 mt -61.79 -42.73 99.37 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.39 1.076 . . . . 64.02 112.602 177.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -68.87 -39.75 79.67 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.292 -0.413 . . . . 73.22 111.77 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -67.13 -43.03 83.41 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 116.339 -0.392 . . . . 75.34 112.019 -176.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.419 ' HE2' ' HA ' ' B' ' 4' ' ' LEU . 0.1 OUTLIER -63.5 -39.36 94.24 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.306 0.243 . . . . 74.04 110.98 178.564 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.55 -34.72 77.5 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.613 0.765 . . . . 64.24 110.906 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.36 -35.72 59.91 Favored Glycine 0 CA--C 1.539 1.531 0 CA-C-N 115.394 -0.821 . . . . 75.54 113.463 175.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.43 -43.22 86.27 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.783 0.833 . . . . 74.21 111.566 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.2 mt -68.81 -35.69 77.31 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.907 0.883 . . . . 75.53 110.669 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.462 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -55.98 -52.09 65.41 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.41 1.084 . . . . 64.22 112.799 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.78 -40.91 73.54 Favored Glycine 0 CA--C 1.532 1.131 0 O-C-N 123.834 0.709 . . . . 73.21 113.851 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -65.01 -48.33 74.3 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.176 0.591 . . . . 73.55 110.922 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.52 HG23 HG21 ' B' ' 30' ' ' ILE . 66.4 mt -62.89 -42.76 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.904 0.881 . . . . 72.51 111.843 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' TRP . . . . . 0.449 ' HE1' ' HB3' ' B' ' 54' ' ' LYS . 79.7 t90 -66.0 -43.07 88.84 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.357 0.663 . . . . 74.51 111.329 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -61.09 -34.28 74.68 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.195 0.598 . . . . 52.41 112.195 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.01 -37.83 88.87 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.002 0.521 . . . . 63.11 111.373 173.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.639 HD21 HD11 ' B' ' 30' ' ' ILE . 95.5 mt -79.45 -24.99 42.05 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.941 0.896 . . . . 74.32 112.233 179.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -68.66 132.78 47.46 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.58 0.752 . . . . 74.13 111.449 -175.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.15 5.85 87.37 Favored Glycine 0 CA--C 1.542 1.756 0 CA-C-N 116.205 -0.452 . . . . 72.43 113.699 -176.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.2 m -126.9 158.61 36.3 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.788 0.835 . . . . 75.22 110.888 -173.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -72.57 -11.43 60.65 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.928 0.891 . . . . 75.43 112.807 177.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.98 150.14 7.58 Favored Glycine 0 N--CA 1.475 1.243 0 C-N-CA 123.428 0.537 . . . . 70.11 112.87 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.408 HD13 HD23 ' B' ' 19' ' ' LEU . 6.6 mp -126.72 157.98 37.65 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.735 0.814 . . . . 72.45 110.156 -178.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 34.3 p -81.14 172.46 13.64 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 116.298 -0.41 . . . . 70.53 110.466 171.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 53.6 tt0 -57.93 -47.96 81.34 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.054 0.542 . . . . 74.34 110.649 175.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.94 -46.88 78.38 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.447 1.099 . . . . 73.44 111.918 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -63.93 -40.86 97.43 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.239 0.616 . . . . 74.41 111.845 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.639 HD11 HD21 ' B' ' 19' ' ' LEU . 69.6 mt -70.44 -42.49 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.004 0.522 . . . . 71.44 111.7 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.408 ' HE2' ' O ' ' B' ' 36' ' ' LEU . 12.9 mmmm -55.77 -39.93 71.92 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 123.336 0.655 . . . . 74.41 111.197 176.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -49.36 48.55 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-N 115.12 -0.946 . . . . 74.34 110.816 176.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.69 89.75 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 123.826 0.85 . . . . 70.23 112.675 -176.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 50.6 p -90.37 -12.15 38.44 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.682 1.193 . . . . 64.41 112.121 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.05 34.69 4.97 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.205 1.002 . . . . 35.42 112.195 176.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.408 ' O ' ' HE2' ' B' ' 31' ' ' LYS . 92.5 mt -80.61 138.3 36.43 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 109.263 -0.643 . . . . 70.41 109.263 176.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -85.51 -52.29 5.94 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.054 0.454 . . . . 62.21 111.215 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -95.17 141.71 28.46 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.515 0.726 . . . . 44.0 111.055 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -58.97 -27.26 65.21 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.78 0.832 . . . . 74.11 111.44 171.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -52.33 -40.91 62.52 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.898 1.279 . . . . 71.35 112.288 172.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -63.48 -37.7 88.3 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.162 0.585 . . . . 74.02 110.944 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -66.72 -46.16 76.39 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.068 -0.969 . . . . 74.21 111.72 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -69.82 -35.97 75.24 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 112.649 0.611 . . . . 71.02 112.649 -175.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp -72.69 -40.4 66.25 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.095 0.558 . . . . 54.14 111.279 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.64 -55.97 15.23 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 116.26 -0.427 . . . . 72.02 112.872 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.571 HD11 HG21 ' B' ' 66' ' ' VAL . 57.6 tp -58.32 -35.92 72.59 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.159 0.984 . . . . 62.23 112.198 176.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.91 -32.1 83.05 Favored Glycine 0 N--CA 1.474 1.23 0 CA-C-N 115.871 -0.604 . . . . 53.22 112.257 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' TRP . . . . . 0.555 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 27.6 t-105 -75.43 -34.25 60.97 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.301 0.641 . . . . 63.5 110.535 173.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.677 HD23 HG11 ' B' ' 55' ' ' VAL . 6.6 mp -61.38 -32.81 72.74 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.9 -0.5 . . . . 53.33 111.43 172.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.56 -39.4 77.43 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.551 0.74 . . . . 72.23 111.723 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' B' ' 48' ' ' TRP . 0.0 OUTLIER -74.44 -24.45 59.07 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-N 117.865 0.302 . . . . 72.34 111.319 177.497 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -80.29 -18.15 50.11 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.47 0.708 . . . . 63.41 110.663 171.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.91 17.27 10.77 Favored 'General case' 0 CA--C 1.56 1.327 0 C-N-CA 125.195 1.398 . . . . 73.42 111.63 176.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.449 ' HB3' ' HE1' ' B' ' 16' ' ' TRP . 9.9 mtmp? -85.65 -5.85 59.22 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.929 0.892 . . . . 73.34 113.135 -175.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.677 HG11 HD23 ' B' ' 49' ' ' LEU . 22.8 m -134.68 163.91 35.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.495 0.664 . . . . 71.1 112.761 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 p -135.27 133.64 52.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 124.786 1.234 . . . . 71.15 109.71 174.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 68.4 p -105.11 133.73 49.4 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.726 0.811 . . . . 43.43 110.521 -173.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 92.5 p -126.97 159.81 32.94 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.878 0.871 . . . . 55.14 110.577 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -98.4 105.0 17.09 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.463 0.705 . . . . 73.43 110.805 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.5 t -114.79 109.69 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.188 0.595 . . . . 72.12 110.713 172.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 58.85 35.69 24.34 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.863 1.265 . . . . 74.41 113.88 168.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.95 10.45 83.97 Favored Glycine 0 CA--C 1.54 1.63 0 N-CA-C 113.841 0.297 . . . . 64.44 113.841 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -125.75 153.52 43.84 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.384 1.074 . . . . 73.43 111.388 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 61.2 mt -78.16 113.84 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 123.11 0.564 . . . . 43.21 110.369 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -111.43 110.6 21.13 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.375 -0.972 . . . . 70.33 108.375 172.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.571 HG21 HD11 ' B' ' 46' ' ' LEU . 7.5 p -116.16 149.21 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 122.931 0.492 . . . . 71.24 110.872 -176.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -146.07 166.53 25.84 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.06 0.944 . . . . 74.32 109.743 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.428 HD23 HG12 ' B' ' 55' ' ' VAL . 45.4 mt -76.17 155.3 34.69 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 122.17 -0.331 . . . . 54.42 111.426 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 26.2 t -83.98 69.33 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 CA-C-O 122.265 1.031 . . . . 74.43 110.548 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 10.0 mp -111.31 -14.53 13.78 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 114.77 -1.105 . . . . 44.04 109.367 166.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.48 98.92 2.87 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.24 0.616 . . . . 72.44 110.964 177.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -130.21 7.31 5.01 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.91 0.884 . . . . 74.31 110.552 174.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -83.07 -37.48 23.8 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.686 0.794 . . . . 74.31 109.835 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -87.76 54.79 3.23 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 124.001 0.921 . . . . 54.44 110.195 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -103.16 25.18 9.78 Favored 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 124.559 1.144 . . . . 60.04 111.339 -173.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -57.92 -35.71 71.46 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.496 0.718 . . . . 74.23 111.717 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 77.0 t60 . . . . . 0 N--CA 1.482 1.128 0 C-N-CA 123.782 0.833 . . . . 74.22 110.809 175.58 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 111.546 0.202 . . . . 52.33 111.546 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -80.14 130.32 35.14 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.171 0.588 . . . . 74.15 111.581 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 95.1 mmm -74.69 165.96 24.37 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.489 0.716 . . . . 53.25 111.756 175.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.455 HD23 ' HB2' ' B' ' 59' ' ' GLU . 0.3 OUTLIER -58.73 -22.59 58.04 Favored 'General case' 0 CA--C 1.566 1.559 0 N-CA-C 113.385 0.883 . . . . 51.41 113.385 173.548 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -75.73 -37.94 58.93 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.131 0.572 . . . . 64.23 110.37 176.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -63.42 -42.53 98.72 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.784 0.802 . . . . 74.01 109.961 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -59.15 -47.95 83.42 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 114.22 -1.354 . . . . 72.01 111.753 172.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.03 -34.15 71.58 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.862 0.865 . . . . 73.23 111.777 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.64 -33.99 63.26 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-N 114.985 -1.007 . . . . 44.33 113.217 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.93 -45.42 67.55 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.519 0.727 . . . . 65.45 111.192 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -61.56 -31.08 71.1 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 124.081 0.952 . . . . 70.11 111.455 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -56.04 -45.2 79.26 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.448 0.907 . . . . 63.44 113.448 177.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.18 -52.89 46.49 Favored Glycine 0 CA--C 1.535 1.309 0 O-C-N 123.686 0.616 . . . . 53.12 114.242 -175.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.35 -37.69 83.64 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 123.407 0.683 . . . . 73.41 112.253 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.666 HD12 ' HA3' ' A' ' 45' ' ' GLY . 61.9 mt -65.94 -41.96 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 123.172 0.589 . . . . 75.12 111.308 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -62.28 -46.15 90.06 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.258 0.623 . . . . 75.41 111.109 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.28 -26.79 68.24 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.444 0.698 . . . . 75.31 112.381 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.95 -37.65 81.84 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.218 0.607 . . . . 42.33 110.903 173.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.5 mt -79.55 -24.55 42.06 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.245 1.018 . . . . 63.53 112.413 175.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.407 ' HA ' HD11 ' A' ' 68' ' ' LEU . 25.1 t-20 -71.12 121.13 17.73 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.189 0.596 . . . . 74.01 111.819 -172.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.86 -2.85 44.97 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-N 115.905 -0.589 . . . . 71.22 114.343 -175.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.422 ' HA ' ' HE1' ' A' ' 76' ' ' HIS . 59.0 p -125.95 176.17 7.18 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 117.88 0.84 . . . . 74.02 111.518 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -81.33 -1.64 46.11 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.627 0.771 . . . . 73.44 112.043 175.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.32 152.65 8.68 Favored Glycine 0 C--N 1.346 1.086 0 C-N-CA 123.161 0.41 . . . . 64.44 112.51 -173.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.523 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 98.3 mt -129.91 160.92 32.09 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.629 0.772 . . . . 64.05 111.076 -177.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.3 p -80.98 164.65 22.39 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.587 0.755 . . . . 73.43 110.805 170.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -60.78 -28.28 68.63 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 122.7 0.4 . . . . 55.3 111.817 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -56.11 -53.79 52.8 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.751 0.821 . . . . 72.52 112.024 168.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.523 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 15.5 mm-40 -72.83 -39.74 66.35 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.718 0.807 . . . . 64.13 112.297 -173.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.5 -52.94 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.436 0.694 . . . . 75.34 110.97 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.524 ' HG3' ' HB2' ' A' ' 36' ' ' LEU . 3.5 ttpm? -61.51 -35.05 76.6 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.651 0.78 . . . . 74.34 111.752 -177.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -67.55 -48.84 65.79 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 123.425 0.69 . . . . 75.14 111.608 175.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.35 99.03 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.414 0.686 . . . . 51.33 111.786 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.431 ' OG1' ' HG ' ' A' ' 36' ' ' LEU . 76.9 p -85.2 -9.06 58.25 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.403 1.081 . . . . 71.54 112.614 -177.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt 68.6 23.79 7.12 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.495 1.118 . . . . 73.5 112.007 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.524 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 79.1 mt -69.94 152.14 44.82 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.03 0.532 . . . . 75.15 110.474 178.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -96.39 -29.65 13.83 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.277 0.631 . . . . 74.33 111.429 -167.743 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.15 167.6 21.8 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.885 0.874 . . . . 62.23 111.674 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -61.93 -29.13 70.01 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.701 1.2 . . . . 61.25 111.438 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -43.57 76.97 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.561 1.145 . . . . 75.11 112.505 176.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -64.31 -39.32 93.68 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.602 0.715 . . . . 74.43 110.706 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -63.55 -43.52 96.82 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 114.353 -1.294 . . . . 74.24 112.011 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -64.38 -40.15 95.27 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 112.587 0.588 . . . . 73.32 112.587 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.05 -46.57 88.58 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.538 0.735 . . . . 54.05 111.671 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.666 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -69.88 -47.6 46.29 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-N 116.198 -0.455 . . . . 42.13 113.367 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.22 -36.79 78.49 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.856 0.862 . . . . 70.41 112.1 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.98 -30.9 74.6 Favored Glycine 0 N--CA 1.476 1.302 0 CA-C-N 115.576 -0.738 . . . . 64.43 112.542 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.584 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 8.7 t-105 -77.7 -35.43 52.12 Favored 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 123.435 0.694 . . . . 74.4 111.555 177.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.532 HD23 HG11 ' A' ' 55' ' ' VAL . 6.6 mp -61.91 -37.19 83.7 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.188 0.595 . . . . 63.4 111.036 173.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.9 mt -64.89 -49.33 70.91 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.844 0.858 . . . . 71.34 112.291 175.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.584 ' HG2' ' HA ' ' A' ' 48' ' ' TRP . 15.4 ptm180 -63.99 -34.78 78.76 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 113.221 0.822 . . . . 54.25 113.221 -174.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.66 6.79 47.13 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 112.162 0.43 . . . . 73.23 112.162 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.45 31.08 15.19 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.856 0.862 . . . . 70.31 111.664 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -88.67 -14.84 36.4 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.973 0.909 . . . . 65.53 111.899 -173.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.532 HG11 HD23 ' A' ' 49' ' ' LEU . 27.5 m -132.52 174.52 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 112.723 0.638 . . . . 75.34 112.723 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.3 p -131.36 128.95 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.852 0.861 . . . . 64.52 109.091 160.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.9 p -102.59 148.08 25.99 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.601 0.715 . . . . 73.14 111.534 -174.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.6 t -146.84 171.34 15.34 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.531 -1.213 . . . . 74.52 108.953 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.34 122.1 34.45 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.947 0.499 . . . . 65.22 109.926 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.5 t -115.04 111.45 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.516 1.126 . . . . 54.44 110.777 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 50.92 43.49 28.64 Favored 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 125.638 1.575 . . . . 60.54 114.892 169.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.4 -7.63 61.91 Favored Glycine 0 N--CA 1.479 1.563 0 N-CA-C 114.971 0.748 . . . . 71.2 114.971 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -127.24 162.74 25.5 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 117.715 0.758 . . . . 71.44 111.547 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.2 mt -82.9 131.27 34.13 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 C-N-CA 123.532 0.733 . . . . 71.4 111.335 -176.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -119.71 111.29 17.84 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.507 1.123 . . . . 73.52 108.583 174.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.1 t -103.74 138.08 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.072 0.549 . . . . 72.42 110.669 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -121.43 168.78 11.3 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.153 0.981 . . . . 71.54 109.24 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 20' ' ' ASN . 45.8 mt -88.9 -177.87 5.59 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 118.183 0.447 . . . . 55.35 110.377 167.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.0 t -83.89 36.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 CA-C-O 121.948 0.88 . . . . 72.34 111.567 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.8 mt 55.11 28.72 11.34 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 124.896 1.278 . . . . 54.12 113.251 174.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.24 132.15 53.16 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.696 0.798 . . . . 72.51 110.571 -175.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -87.99 -4.69 58.78 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 113.919 1.081 . . . . 74.23 113.919 -162.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -71.96 104.63 3.58 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-N 118.3 0.5 . . . . 74.01 111.086 -179.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 61.95 24.6 14.67 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.695 1.198 . . . . 75.24 112.363 -177.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -75.3 110.43 9.63 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.622 0.769 . . . . 71.33 109.471 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.422 ' HE1' ' HA ' ' A' ' 22' ' ' THR . 10.9 p-80 -62.09 155.41 24.23 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 112.805 0.668 . . . . 53.2 112.805 -179.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 45.7 t60 . . . . . 0 N--CA 1.484 1.274 0 C-N-CA 124.074 0.95 . . . . 73.55 111.778 -176.364 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 CA--C 1.556 1.175 0 CA-C-O 120.65 0.262 . . . . 74.14 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt 56.18 39.74 30.23 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.767 1.227 . . . . 75.23 111.891 173.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 24.1 mmt -66.82 161.66 23.31 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.626 0.77 . . . . 63.54 113.045 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.74 -22.84 67.11 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 115.193 -0.912 . . . . 74.44 110.855 171.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -71.57 -44.68 64.07 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.526 0.73 . . . . 70.44 111.471 171.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -65.83 -42.9 89.99 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.149 0.58 . . . . 71.4 111.656 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -27.17 62.34 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 122.269 0.227 . . . . 71.15 111.465 175.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.9 -50.51 68.47 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 123.128 0.571 . . . . 62.0 111.342 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.38 -32.22 78.88 Favored Glycine 0 CA--C 1.535 1.328 0 CA-C-N 115.635 -0.712 . . . . 72.41 113.725 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.18 -49.2 72.96 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.262 0.625 . . . . 71.23 111.015 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.492 ' O ' HG12 ' B' ' 15' ' ' ILE . 94.2 mt -63.13 -34.57 77.91 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.576 0.75 . . . . 74.43 111.451 176.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.411 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -54.19 -31.44 52.9 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.393 0.677 . . . . 44.32 112.628 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.09 -53.68 42.92 Favored Glycine 0 CA--C 1.54 1.635 0 CA-C-N 116.034 -0.53 . . . . 43.01 113.48 172.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -74.59 -31.12 61.95 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 112.604 0.594 . . . . 65.4 112.604 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.492 HG12 ' O ' ' B' ' 11' ' ' LEU . 41.9 mm -65.6 -43.69 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 C-N-CA 123.244 0.618 . . . . 72.13 109.887 175.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -62.92 -45.12 93.98 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 115.514 -0.767 . . . . 72.01 110.978 173.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -63.69 -29.08 70.35 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.212 0.605 . . . . 43.22 112.541 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.53 -41.18 93.39 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 122.914 0.486 . . . . 63.23 110.667 172.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.608 HD21 HG23 ' B' ' 66' ' ' VAL . 92.3 mt -79.68 -15.37 57.69 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.637 0.775 . . . . 71.44 112.561 175.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.444 ' HA ' HD11 ' B' ' 68' ' ' LEU . 50.4 t30 -71.02 123.95 23.26 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.972 0.509 . . . . 74.4 110.346 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.03 -2.1 75.12 Favored Glycine 0 CA--C 1.538 1.493 0 CA-C-N 115.963 -0.562 . . . . 51.4 113.596 -174.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 18.5 p -121.11 162.72 19.57 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 117.515 0.657 . . . . 65.04 110.629 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -105.15 10.86 33.69 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.004 0.522 . . . . 75.54 111.164 175.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.506 ' HA2' ' HB3' ' B' ' 67' ' ' LYS . . . 156.47 128.43 1.08 Allowed Glycine 0 C--N 1.352 1.441 0 N-CA-C 114.295 0.478 . . . . 62.44 114.295 178.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 95.8 mt -132.72 161.41 34.08 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.424 1.09 . . . . 72.53 109.611 170.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 23.1 p -84.57 171.05 12.79 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 120.744 0.307 . . . . 71.41 110.255 166.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -56.79 -36.6 70.07 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.185 0.594 . . . . 74.31 112.131 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' B' ' 32' ' ' LYS . 88.1 mttt -67.56 -45.67 74.95 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.49 1.116 . . . . 71.4 112.112 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.76 -35.82 81.06 Favored 'General case' 0 N--CA 1.497 1.884 0 C-N-CA 123.054 0.542 . . . . 72.33 111.948 176.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.408 HG21 HG23 ' B' ' 15' ' ' ILE . 28.3 mt -66.0 -44.58 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 122.932 0.493 . . . . 62.42 111.343 173.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -59.34 -27.96 66.39 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 122.947 0.499 . . . . 74.54 112.164 177.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' B' ' 28' ' ' LYS . 14.1 mmmm -70.73 -47.16 61.15 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 122.767 0.427 . . . . 74.1 111.526 174.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.29 -30.32 67.31 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.341 0.656 . . . . 72.32 112.501 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 81.4 p -94.99 -21.94 18.27 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.101 0.96 . . . . 64.14 112.251 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 66.78 28.25 8.96 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 124.878 1.271 . . . . 74.14 112.034 -176.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 78.1 mt -72.63 128.39 35.41 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 116.08 -0.509 . . . . 70.22 109.781 172.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -80.0 -45.33 18.61 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.593 0.757 . . . . 75.1 110.002 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.89 142.37 28.96 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 115.228 -0.896 . . . . 54.43 111.829 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -69.29 -24.95 64.02 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.188 0.995 . . . . 72.25 110.817 170.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -52.91 -41.61 64.58 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.179 1.392 . . . . 64.31 112.643 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.31 -37.79 77.95 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.316 0.646 . . . . 65.21 111.057 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -60.27 -48.33 82.18 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 115.976 -0.556 . . . . 73.02 111.791 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -59.05 -35.41 73.28 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.174 0.59 . . . . 73.52 112.559 -175.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -73.02 -37.1 67.05 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.407 0.683 . . . . 62.22 111.546 176.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLY . . . . . 0.445 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -66.4 -54.8 21.28 Favored Glycine 0 CA--C 1.539 1.54 0 CA-C-N 116.59 -0.277 . . . . 55.13 112.743 175.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 68.6 tp -59.15 -35.34 73.35 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.418 1.087 . . . . 70.24 112.266 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.31 -33.56 84.94 Favored Glycine 0 N--CA 1.477 1.368 0 CA-C-O 121.45 0.472 . . . . 73.54 112.498 178.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' TRP . . . . . 0.516 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 9.7 t-105 -77.85 -31.89 51.74 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.398 0.679 . . . . 64.14 111.233 176.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.618 ' HB3' HG22 ' B' ' 55' ' ' VAL . 7.3 mp -62.34 -37.54 86.04 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.104 0.562 . . . . 54.22 111.469 172.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 94.2 mt -71.29 -35.6 71.37 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.485 0.714 . . . . 72.33 112.298 175.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' B' ' 48' ' ' TRP . 0.0 OUTLIER -68.94 -36.37 77.87 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 112.241 0.46 . . . . 74.01 112.241 -176.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.593 ' HB2' ' HG3' ' B' ' 54' ' ' LYS . 48.8 mt-10 -87.03 -19.23 28.96 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.722 0.409 . . . . 73.14 111.346 176.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 60.97 50.04 5.4 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 122.483 1.135 . . . . 75.11 111.071 -168.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.593 ' HG3' ' HB2' ' B' ' 52' ' ' GLU . 23.7 mtpp -76.83 -29.45 55.94 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 113.773 -1.558 . . . . 71.13 109.528 172.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.618 HG22 ' HB3' ' B' ' 49' ' ' LEU . 17.1 m -132.63 166.9 27.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 CA-C-N 115.201 -0.909 . . . . 73.31 111.526 -175.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.27 135.93 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.158 1.383 . . . . 55.11 108.886 167.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' THR . . . . . 0.43 HG23 HD11 ' A' ' 4' ' ' LEU . 2.5 t -127.74 152.51 47.66 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.576 0.703 . . . . 72.34 110.749 -176.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 71.0 m -120.83 139.74 52.73 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 114.693 -1.14 . . . . 62.11 109.939 -172.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.455 ' HB2' HD23 ' A' ' 4' ' ' LEU . 40.0 tt0 -96.78 101.3 12.87 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 107.648 -1.241 . . . . 74.35 107.648 177.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 72.3 t -123.65 109.2 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.915 0.886 . . . . 72.05 110.11 -169.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 53.89 30.89 12.28 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 125.129 1.371 . . . . 75.42 112.899 176.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.68 -21.4 41.44 Favored Glycine 0 CA--C 1.543 1.844 0 N-CA-C 114.631 0.612 . . . . 74.14 114.631 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -86.31 141.87 28.92 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.754 0.821 . . . . 71.21 111.84 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 49.0 mt -85.85 105.1 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.222 0 C-N-CA 123.57 0.748 . . . . 74.41 110.612 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -105.36 101.94 11.45 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.463 0.705 . . . . 75.45 110.366 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.608 HG23 HD21 ' B' ' 19' ' ' LEU . 33.8 m -99.53 150.29 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 123.969 0.907 . . . . 73.43 111.941 -172.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.506 ' HB3' ' HA2' ' B' ' 24' ' ' GLY . 19.3 pttm -158.21 160.43 37.15 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 123.419 0.688 . . . . 64.14 109.752 177.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.46 HD23 HG12 ' B' ' 55' ' ' VAL . 45.2 mt -65.62 160.23 23.04 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 118.9 0.773 . . . . 64.32 111.252 175.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 89.2 t -67.03 87.34 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 CA-C-O 121.677 0.751 . . . . 62.33 109.31 170.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 92.7 mt -116.73 91.74 3.67 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.027 0.931 . . . . 75.24 109.547 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.72 -19.78 65.83 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.534 0.734 . . . . 54.0 112.185 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 55.0 m170 -59.66 -21.74 60.94 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.293 0.637 . . . . 72.41 111.915 172.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -108.19 141.42 39.95 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.095 0.958 . . . . 74.45 109.919 173.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 70.33 9.25 6.93 Favored 'General case' 0 CA--C 1.57 1.714 0 C-N-CA 124.661 1.185 . . . . 74.21 113.866 171.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 25.3 p-80 -70.08 133.25 46.98 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.301 -0.875 . . . . 63.43 111.068 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -79.63 75.22 6.29 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 123.605 0.762 . . . . 72.2 110.563 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 . . . . . 0 N--CA 1.485 1.301 0 C-N-CA 123.554 0.741 . . . . 34.15 110.452 179.295 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 119.82 -0.133 . . . . 72.22 111.112 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.72 124.47 26.08 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 121.642 0.734 . . . . 53.45 110.237 -176.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.704 ' HG3' ' H ' ' A' ' 5' ' ' LYS . 15.1 tpt -115.16 149.19 38.03 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.236 1.014 . . . . 73.35 111.453 -169.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -69.3 -22.19 63.81 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.001 0.521 . . . . 54.34 111.449 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.704 ' H ' ' HG3' ' A' ' 3' ' ' MET . 40.6 ttmt -69.31 -53.71 18.28 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.29 1.036 . . . . 73.15 111.519 176.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.39 -28.34 67.85 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 122.747 0.419 . . . . 73.35 111.191 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -67.4 -45.66 75.52 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.385 1.074 . . . . 65.24 109.529 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.95 84.71 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.913 0.885 . . . . 43.55 111.674 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.3 -33.71 73.67 Favored Glycine 0 CA--C 1.539 1.559 0 CA-C-N 115.828 -0.624 . . . . 74.42 114.021 175.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.94 -42.59 85.05 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.241 0.616 . . . . 75.24 111.037 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.5 mt -64.74 -39.05 92.98 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.97 0.908 . . . . 64.53 111.088 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.502 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -56.27 -36.43 68.57 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.753 0.821 . . . . 40.34 112.31 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.52 -39.45 97.35 Favored Glycine 0 CA--C 1.54 1.616 0 CA-C-N 115.74 -0.664 . . . . 65.41 113.213 172.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -70.26 -53.35 17.31 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.407 0.683 . . . . 74.31 111.943 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.09 -44.05 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 C-N-CA 123.707 0.803 . . . . 63.32 110.55 -176.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -66.96 -40.34 87.46 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 112.276 0.473 . . . . 72.4 112.276 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -65.52 -26.36 67.87 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 118.559 0.618 . . . . 74.24 112.151 175.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.04 -31.31 68.88 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 123.048 0.539 . . . . 75.41 111.073 171.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.444 HD21 HG13 ' A' ' 66' ' ' VAL . 94.2 mt -85.82 -24.91 26.58 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.156 0.982 . . . . 64.25 112.237 176.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.523 ' HA ' HD11 ' A' ' 68' ' ' LEU . 64.3 t30 -73.18 125.45 27.75 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.151 0.58 . . . . 64.03 111.188 -173.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.56 11.15 80.52 Favored Glycine 0 CA--C 1.538 1.508 0 CA-C-N 116.008 -0.542 . . . . 74.25 114.132 -175.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.8 p -124.69 168.76 12.73 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.367 0.667 . . . . 64.23 110.382 176.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -76.03 -12.26 60.1 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 123.231 0.612 . . . . 74.31 111.46 173.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.57 158.16 7.64 Favored Glycine 0 C--N 1.34 0.776 0 N-CA-C 111.173 -0.771 . . . . 40.31 111.173 -170.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.4 tp -147.1 148.18 31.33 Favored 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 117.132 0.466 . . . . 72.42 110.098 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.1 p -85.08 164.2 18.35 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.07 0.548 . . . . 74.15 111.4 -178.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -52.84 -50.4 63.81 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.987 0.915 . . . . 74.03 112.696 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -56.29 -48.13 77.25 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.756 0.822 . . . . 75.44 112.196 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -73.37 -27.08 61.29 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 115.577 -0.738 . . . . 74.22 112.365 -175.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.2 mt -72.64 -48.13 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 122.806 0.443 . . . . 61.13 110.38 173.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -61.14 -26.08 67.44 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 123.417 0.687 . . . . 63.54 111.843 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -66.43 -53.82 31.27 Favored 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 123.983 0.913 . . . . 74.34 110.985 169.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.15 -26.23 64.77 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.747 0.819 . . . . 61.13 112.95 -175.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.4 p -98.35 -18.91 18.07 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.301 1.04 . . . . 70.53 111.922 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt 68.94 26.43 5.76 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 124.63 1.172 . . . . 73.41 112.208 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.44 102.49 5.2 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.123 -0.489 . . . . 61.3 110.31 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -61.31 -43.97 97.99 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.265 1.026 . . . . 73.14 110.822 174.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.96 146.14 28.17 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.37 0.668 . . . . 74.1 112.306 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.11 -36.28 81.59 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.437 1.095 . . . . 52.42 111.71 171.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -53.75 -48.29 69.83 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 125.225 1.41 . . . . 73.13 112.626 -173.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.86 -29.46 70.41 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 114.864 -1.062 . . . . 73.3 112.218 -176.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -65.11 -45.64 84.3 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.359 -0.382 . . . . 74.42 110.8 173.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -67.64 -36.62 81.13 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.16 0.584 . . . . 72.12 112.165 -176.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.86 -41.31 75.03 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.203 0.601 . . . . 73.44 111.138 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.465 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -65.17 -53.75 31.36 Favored Glycine 0 C--N 1.352 1.463 0 CA-C-N 116.321 -0.4 . . . . 74.43 113.09 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.416 HD11 HG21 ' A' ' 66' ' ' VAL . 56.8 tp -63.11 -33.69 76.0 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.391 1.077 . . . . 72.31 111.907 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.39 -31.22 68.59 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-N 115.606 -0.724 . . . . 61.14 112.825 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.502 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 39.6 t-105 -74.45 -28.43 61.04 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 123.025 0.53 . . . . 72.23 111.226 177.216 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.656 HD23 HG11 ' A' ' 55' ' ' VAL . 4.4 mp -62.51 -28.99 70.22 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 123.93 0.892 . . . . 72.15 111.726 173.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.77 -33.23 75.21 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.691 0.796 . . . . 54.5 112.165 172.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.674 ' HG2' ' HA ' ' B' ' 51' ' ' ARG . 8.2 mtp180 -58.05 -40.03 79.95 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.417 0.627 . . . . 64.02 111.2 172.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -85.57 -27.14 25.71 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.087 -0.96 . . . . 75.24 111.27 -175.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 60.0 27.11 16.47 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.573 1.149 . . . . 71.33 111.418 -174.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -85.06 -3.59 58.85 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.186 -0.915 . . . . 74.35 111.489 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.656 HG11 HD23 ' A' ' 49' ' ' LEU . 25.6 m -131.82 164.56 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.695 0.798 . . . . 63.15 111.019 177.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.58 137.77 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.961 0 C-N-CA 124.333 1.053 . . . . 60.24 109.584 173.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.1 p -104.05 139.94 38.45 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.309 0.644 . . . . 63.02 111.544 -170.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.9 m -125.48 144.35 50.58 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.45 1.1 . . . . 54.24 110.425 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -97.91 105.07 17.16 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.98 -0.748 . . . . 72.43 108.98 176.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.4 t -113.29 109.88 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.281 0.633 . . . . 75.31 110.498 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 53.01 31.67 11.48 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 114.2 1.185 . . . . 64.01 114.2 169.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.54 -2.42 64.9 Favored Glycine 0 CA--C 1.54 1.61 0 N-CA-C 115.339 0.896 . . . . 65.21 115.339 177.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -114.33 154.15 28.53 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 118.435 1.118 . . . . 61.31 112.071 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.1 mt -77.18 110.09 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-N 115.672 -0.695 . . . . 75.54 110.679 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -104.56 142.36 34.78 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 108.554 -0.906 . . . . 73.54 108.554 167.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.444 HG13 HD21 ' A' ' 19' ' ' LEU . 5.7 p -139.16 149.83 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 122.776 0.43 . . . . 42.43 110.056 173.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.89 153.62 42.51 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.281 0.632 . . . . 64.22 110.733 -175.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' A' ' 20' ' ' ASN . 51.2 mt -71.52 144.84 49.48 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.724 0.297 . . . . 72.25 110.906 175.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 t -75.51 -9.65 12.93 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.682 0 CA-C-O 121.412 0.625 . . . . 72.15 110.022 173.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.7 mt -91.85 34.39 1.0 Allowed 'General case' 0 CA--C 1.562 1.412 0 C-N-CA 124.437 1.095 . . . . 65.22 112.135 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -82.23 104.4 12.52 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.973 0.509 . . . . 75.12 110.881 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -88.25 67.69 8.81 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.51 0.724 . . . . 74.51 112.374 -174.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -169.92 156.56 6.23 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.263 0.625 . . . . 61.21 111.415 169.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -71.13 91.7 0.93 Allowed 'General case' 0 CA--C 1.56 1.34 0 CA-C-O 121.736 0.779 . . . . 73.3 111.573 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -108.38 112.15 24.44 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.723 0.809 . . . . 75.32 111.418 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -118.66 144.75 45.98 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.095 0.558 . . . . 72.53 109.876 168.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 121.641 0.734 . . . . 74.34 110.254 178.414 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 CA--C 1.555 1.17 0 CA-C-O 120.724 0.297 . . . . 64.21 111.591 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.95 91.42 0.04 OUTLIER 'General case' 0 CA--C 1.564 1.514 0 CA-C-O 121.785 0.802 . . . . 70.02 111.692 173.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 86.5 mtp -79.89 117.67 20.96 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 122.948 0.499 . . . . 51.2 109.96 176.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.27 -13.83 42.7 Favored 'General case' 0 CA--C 1.563 1.479 0 C-N-CA 123.528 0.731 . . . . 73.12 112.491 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -66.37 -40.18 89.59 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.191 0.996 . . . . 64.52 110.817 172.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -69.53 -41.05 76.51 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.035 0.445 . . . . 63.31 109.93 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -60.79 -34.25 74.21 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.681 0.792 . . . . 72.52 111.205 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.84 -44.45 86.53 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.67 0.788 . . . . 72.13 111.597 171.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.25 -32.49 76.17 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 115.918 -0.583 . . . . 42.33 114.144 176.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.79 -40.52 88.15 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.352 0.661 . . . . 40.41 111.76 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.87 -40.65 91.84 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.448 0.699 . . . . 71.52 110.822 172.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.588 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -59.54 -38.47 81.12 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.737 0.815 . . . . 74.44 113.162 -177.116 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' B' ' 17' ' ' GLU . . . -59.35 -53.62 44.71 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 123.664 0.603 . . . . 62.13 113.289 178.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -70.84 -30.97 67.53 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.194 0.598 . . . . 75.44 112.411 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.566 HD12 ' HA3' ' B' ' 45' ' ' GLY . 64.1 mt -67.35 -46.03 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 122.943 0.497 . . . . 73.53 110.826 176.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -56.86 -41.26 77.62 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 123.799 0.84 . . . . 62.43 111.418 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' B' ' 13' ' ' GLY . 52.5 mt-10 -62.67 -35.04 78.39 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.767 0.827 . . . . 65.14 112.438 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 -33.12 75.24 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.309 0.643 . . . . 71.22 111.579 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 mp -83.24 -22.85 32.98 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.508 0.723 . . . . 62.44 111.502 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -74.26 126.7 31.2 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.931 0.492 . . . . 64.34 109.826 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.49 -13.9 66.49 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 114.048 0.379 . . . . 75.43 114.048 -175.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 46.2 p -110.36 172.72 6.7 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.529 0.732 . . . . 72.44 110.204 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -79.75 0.15 31.88 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 122.877 0.471 . . . . 64.24 111.915 172.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.21 154.41 14.45 Favored Glycine 0 C--N 1.346 1.109 0 N-CA-C 111.971 -0.452 . . . . 73.23 111.971 -171.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 95.9 mt -131.78 154.6 48.92 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.721 0.808 . . . . 75.34 110.453 -175.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' B' ' 65' ' ' PHE . 43.5 p -77.49 163.6 26.19 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 109.362 -0.607 . . . . 62.35 109.362 172.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLN . . . . . 0.759 ' HG3' ' HD2' ' B' ' 28' ' ' LYS . 4.4 pt20 -52.57 -40.04 62.18 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 112.797 0.666 . . . . 73.15 112.797 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.759 ' HD2' ' HG3' ' B' ' 27' ' ' GLN . 0.3 OUTLIER -63.54 -42.17 98.43 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 123.455 0.702 . . . . 74.32 111.605 177.101 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.529 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 17.1 mm-40 -67.97 -42.56 80.68 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.391 0.676 . . . . 71.35 111.477 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.462 HG21 HG23 ' B' ' 15' ' ' ILE . 78.5 mt -63.58 -45.57 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.707 0.803 . . . . 73.41 110.926 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -51.0 -44.48 60.96 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.846 0.858 . . . . 74.34 112.335 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -67.4 -40.18 85.59 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.363 0.665 . . . . 71.44 111.655 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.33 69.53 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.323 0.649 . . . . 71.4 112.3 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.482 HG21 ' HA ' ' B' ' 15' ' ' ILE . 73.5 p -95.78 -7.31 37.48 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 123.964 0.906 . . . . 73.45 112.465 -176.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt 72.94 18.05 4.09 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 125.386 1.474 . . . . 73.2 111.681 177.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 mp -70.4 109.64 4.87 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.253 1.021 . . . . 74.32 110.224 172.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -29.99 66.84 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.926 0.49 . . . . 73.14 111.028 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.9 144.88 49.5 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.113 0.965 . . . . 74.23 111.619 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.02 -23.77 67.46 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.151 0.981 . . . . 75.01 110.968 171.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -53.19 -41.23 65.06 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.518 1.127 . . . . 75.13 112.251 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.56 -48.74 66.06 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.202 0.601 . . . . 73.31 109.588 173.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -55.21 -35.95 65.43 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.184 0.993 . . . . 74.14 113.412 -177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -66.12 -33.12 75.05 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 118.327 0.512 . . . . 73.22 111.95 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -72.79 -43.61 62.57 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.139 0.575 . . . . 63.23 110.471 173.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLY . . . . . 0.566 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -65.02 -60.68 6.55 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-N 116.259 -0.428 . . . . 42.52 113.324 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 62.2 tp -53.56 -35.07 60.37 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.103 0.961 . . . . 75.33 112.379 170.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.46 -33.41 84.61 Favored Glycine 0 CA--C 1.533 1.162 0 N-CA-C 112.34 -0.304 . . . . 75.03 112.34 176.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' TRP . . . . . 0.588 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 35.9 t-105 -77.49 -33.8 54.4 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.475 0.71 . . . . 72.55 111.675 173.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.685 ' HB3' HG22 ' B' ' 55' ' ' VAL . 8.7 mp -60.0 -34.55 73.49 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.244 0.618 . . . . 73.54 111.548 171.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 93.9 mt -77.51 -34.59 54.05 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.296 0.638 . . . . 64.41 111.03 171.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.674 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -55.28 -47.94 74.76 Favored 'General case' 0 N--CA 1.499 2.016 0 C-N-CA 124.385 1.074 . . . . 72.45 111.931 -178.2 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.424 ' HB2' ' HG3' ' B' ' 54' ' ' LYS . 43.8 mt-10 -95.59 -0.32 52.03 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 111.948 0.351 . . . . 71.31 111.948 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 58.38 42.05 22.02 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.88 0.872 . . . . 64.23 111.362 -173.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.424 ' HG3' ' HB2' ' B' ' 52' ' ' GLU . 22.0 mtpp -71.33 -34.91 70.96 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.668 1.187 . . . . 70.35 110.741 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.685 HG22 ' HB3' ' B' ' 49' ' ' LEU . 15.7 m -133.64 178.53 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 CA-C-O 121.581 0.705 . . . . 75.21 112.036 -173.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -130.58 136.75 57.71 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 C-N-CA 124.818 1.247 . . . . 71.42 109.967 172.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 66.6 p -105.6 155.57 19.09 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.422 0.689 . . . . 64.34 110.459 -178.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 68.3 m -140.79 143.6 34.96 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.838 0.855 . . . . 74.23 110.318 -177.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -97.67 103.76 15.72 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.56 -0.904 . . . . 73.15 108.56 174.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 86.0 t -107.94 102.04 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 108.662 -0.866 . . . . 41.42 108.662 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 44.45 43.69 6.43 Favored 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 125.311 1.444 . . . . 72.22 113.448 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.2 -25.29 28.28 Favored Glycine 0 CA--C 1.542 1.764 0 N-CA-C 115.239 0.855 . . . . 74.03 115.239 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -78.56 136.23 37.49 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 117.708 0.754 . . . . 74.34 112.067 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 69.2 mt -83.24 95.02 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.289 0 N-CA-C 109.801 -0.444 . . . . 71.15 109.801 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 65.6 t80 -92.75 115.11 27.81 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.256 1.022 . . . . 73.12 110.725 178.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 25.7 t -111.04 142.61 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 123.46 0.704 . . . . 71.02 110.964 -174.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -152.78 152.13 31.26 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 122.73 0.412 . . . . 60.21 110.745 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.402 HD23 HG12 ' B' ' 55' ' ' VAL . 44.8 mt -62.21 151.41 36.21 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 112.357 0.503 . . . . 44.02 112.357 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 86.7 t -69.25 96.35 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 108.47 -0.937 . . . . 51.31 108.47 167.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 88.6 mt -53.0 -55.29 24.67 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.318 1.047 . . . . 75.12 112.353 -171.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -134.19 121.6 21.61 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.32 0.648 . . . . 60.31 109.779 -176.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -141.39 107.83 5.29 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 124.117 0.967 . . . . 74.11 108.811 171.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -87.49 165.03 15.82 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 113.102 0.778 . . . . 71.31 113.102 -172.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -58.82 111.98 1.48 Allowed 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 114.698 -1.137 . . . . 71.05 111.247 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -83.46 85.36 7.26 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.361 0.664 . . . . 74.1 110.11 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -161.85 137.35 7.52 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.576 0.75 . . . . 75.22 110.101 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 60.7 m80 . . . . . 0 N--CA 1.483 1.213 0 C-N-CA 123.373 0.669 . . . . 64.04 110.679 177.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 120.817 0.341 . . . . 72.22 110.738 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -78.2 90.88 4.31 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 122.854 0.462 . . . . 70.5 110.994 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.9 mmt -71.79 124.96 25.95 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.333 0.653 . . . . 70.41 110.964 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.0 mt -67.02 -12.82 60.97 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 123.114 0.566 . . . . 65.55 111.742 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.549 ' HG2' ' HZ3' ' A' ' 48' ' ' TRP . 27.5 ttmt -70.52 -30.6 67.4 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 122.877 0.471 . . . . 74.1 110.812 172.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -67.45 -44.3 79.01 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.231 0.613 . . . . 74.11 112.435 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.27 -28.21 67.0 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 111.534 0.198 . . . . 74.3 111.534 176.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.29 98.63 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.923 0.489 . . . . 64.12 111.102 174.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.81 -38.78 49.14 Favored Glycine 0 CA--C 1.536 1.385 0 CA-C-N 115.638 -0.71 . . . . 34.43 114.006 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.35 92.09 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.564 0.746 . . . . 74.31 111.893 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.504 HD13 ' HB3' ' A' ' 41' ' ' ASP . 90.1 mt -69.89 -38.2 76.28 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.668 -0.696 . . . . 75.03 111.064 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.99 -34.4 69.94 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.996 0.518 . . . . 75.0 112.251 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.75 -55.28 31.31 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-N 115.59 -0.732 . . . . 70.3 113.467 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.58 -31.09 66.56 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.068 0.547 . . . . 52.55 112.407 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.2 mt -64.0 -49.11 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 C-N-CA 123.17 0.588 . . . . 73.24 110.268 174.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -64.11 -40.75 96.88 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-N 115.939 -0.573 . . . . 75.11 111.614 178.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.17 -31.37 72.52 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.289 0.636 . . . . 75.33 111.653 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.31 -33.69 73.55 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.37 0.668 . . . . 54.13 111.14 172.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.4 mt -80.3 -23.09 40.94 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.945 0.898 . . . . 64.34 112.315 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.467 ' HA ' HD11 ' A' ' 68' ' ' LEU . 23.1 t-20 -68.58 120.42 14.57 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.02 0.528 . . . . 62.33 111.394 -177.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.88 -28.99 13.05 Favored Glycine 0 CA--C 1.538 1.506 0 CA-C-N 115.754 -0.657 . . . . 53.32 112.809 -170.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.587 HG22 ' H ' ' A' ' 24' ' ' GLY . 11.7 m -88.67 154.15 20.53 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.02 0.928 . . . . 64.12 110.727 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -84.83 -8.25 58.87 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.486 0.714 . . . . 70.31 112.593 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.587 ' H ' HG22 ' A' ' 22' ' ' THR . . . 146.83 143.34 3.86 Favored Glycine 0 C--N 1.346 1.105 0 N-CA-C 113.492 0.157 . . . . 73.44 113.492 -177.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.482 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 93.9 mt -136.0 158.63 43.94 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.343 1.057 . . . . 73.32 110.256 177.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.5 p -86.77 172.36 10.21 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.32 0.248 . . . . 73.44 110.473 171.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -51.46 -45.38 62.7 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.764 0.826 . . . . 61.11 111.882 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -63.42 -39.34 94.22 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.91 0.884 . . . . 64.31 112.954 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.482 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 7.2 mm-40 -70.56 -37.28 73.97 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.199 0.523 . . . . 71.02 111.38 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.3 mt -68.21 -39.69 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 115.487 -0.779 . . . . 62.44 111.202 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.404 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 10.1 mmmm -53.56 -39.56 64.86 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 123.521 0.728 . . . . 75.44 112.1 175.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -70.5 -44.15 68.21 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 122.965 0.506 . . . . 52.33 111.583 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.8 -23.01 61.49 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.751 1.019 . . . . 61.25 113.751 -174.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.435 ' OG1' ' HG ' ' A' ' 36' ' ' LEU . 75.9 p -121.76 -9.38 8.86 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 113.092 0.775 . . . . 73.03 113.092 -177.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? 52.86 40.52 30.92 Favored 'General case' 0 N--CA 1.504 2.262 0 C-N-CA 125.777 1.631 . . . . 73.53 113.271 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.435 ' HG ' ' OG1' ' A' ' 34' ' ' THR . 83.4 mt -56.14 126.58 26.67 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 115.583 -0.735 . . . . 71.33 110.786 177.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.643 ' HD3' ' H ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -63.57 -32.6 74.11 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.011 0.925 . . . . 65.35 111.209 -169.419 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.41 162.67 34.77 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.43 1.092 . . . . 72.52 109.872 169.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.02 -24.36 66.0 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.911 0.485 . . . . 61.21 110.333 169.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -51.94 -38.07 55.12 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.183 0.993 . . . . 74.31 111.308 171.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.504 ' HB3' HD13 ' A' ' 11' ' ' LEU . 44.3 m-20 -67.37 -38.04 84.13 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.711 0.804 . . . . 64.3 111.414 175.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -62.04 -43.75 98.17 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.484 0.714 . . . . 73.24 112.034 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -65.3 -36.13 83.14 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 122.979 0.512 . . . . 74.33 112.21 -174.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -71.99 -37.97 69.77 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 122.984 0.514 . . . . 64.3 111.076 175.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.59 -45.99 86.74 Favored Glycine 0 CA--C 1.539 1.581 0 CA-C-N 116.549 -0.296 . . . . 53.11 112.884 175.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.7 tp -64.59 -31.02 72.05 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.674 1.19 . . . . 72.25 111.504 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.2 -33.06 85.89 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-N 116.116 -0.493 . . . . 62.34 112.307 176.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.549 ' HZ3' ' HG2' ' A' ' 5' ' ' LYS . 8.7 t-105 -77.9 -32.27 51.68 Favored 'General case' 0 CA--C 1.56 1.339 0 C-N-CA 123.931 0.893 . . . . 73.35 111.558 175.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.478 ' HB3' HG22 ' A' ' 55' ' ' VAL . 7.7 mp -58.09 -46.01 86.22 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.156 0.582 . . . . 70.13 110.933 170.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.4 mt -70.37 -33.59 71.61 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.038 0.935 . . . . 62.51 111.513 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.523 ' HD2' ' HA ' ' B' ' 51' ' ' ARG . 28.4 ttt180 -54.97 -49.86 70.37 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.967 0.907 . . . . 71.54 112.579 177.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.507 ' HB2' ' HG3' ' A' ' 54' ' ' LYS . 33.3 mt-10 -94.74 -6.99 41.84 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.58 -0.736 . . . . 62.04 111.099 -177.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 58.95 36.03 24.34 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.769 1.228 . . . . 54.22 111.411 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.507 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 48.5 mtmt -72.69 -18.13 61.57 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.057 -0.974 . . . . 72.23 111.134 177.162 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.478 HG22 ' HB3' ' A' ' 49' ' ' LEU . 20.6 m -129.53 168.55 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.606 0.762 . . . . 72.1 110.584 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.593 HG13 HG22 ' A' ' 69' ' ' VAL . 6.0 m -130.43 139.28 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.77 1.228 . . . . 74.43 108.818 168.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.655 HG22 HG12 ' A' ' 66' ' ' VAL . 41.5 p -109.58 132.86 53.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.227 0.611 . . . . 60.23 111.445 -169.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.467 ' HB2' ' HD2' ' A' ' 65' ' ' PHE . 44.3 m -115.71 137.97 51.57 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.114 0.966 . . . . 71.32 109.505 176.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -96.08 101.33 12.98 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.985 -0.746 . . . . 73.13 108.985 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.408 HG12 ' HG3' ' A' ' 61' ' ' GLU . 81.7 t -121.66 114.03 41.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.099 0.959 . . . . 71.24 110.251 -169.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.408 ' HG3' HG12 ' A' ' 60' ' ' VAL . 27.0 mt-10 60.56 30.77 19.99 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.978 1.311 . . . . 71.04 112.693 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.66 0.0 46.12 Favored Glycine 0 CA--C 1.543 1.805 0 N-CA-C 114.744 0.658 . . . . 53.23 114.744 -173.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -98.75 155.04 17.55 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.912 0.885 . . . . 60.12 111.146 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.8 mt -74.45 104.69 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 CA-C-N 115.238 -0.892 . . . . 73.24 110.52 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.467 ' HD2' ' HB2' ' A' ' 58' ' ' SER . 87.9 t80 -109.2 131.36 55.14 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.72 -0.845 . . . . 72.25 108.72 168.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.655 HG12 HG22 ' A' ' 57' ' ' THR . 19.6 m -125.77 159.11 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.515 0.726 . . . . 51.21 110.182 -179.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.577 ' HG3' HG23 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -152.79 167.97 27.26 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.776 0.83 . . . . 64.23 109.484 174.737 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.467 HD11 ' HA ' ' A' ' 20' ' ' ASN . 32.4 mt -84.62 164.08 18.89 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 118.785 0.721 . . . . 61.32 112.284 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.593 HG22 HG13 ' A' ' 56' ' ' VAL . 55.2 t -88.48 97.46 6.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 CA-C-N 114.954 -1.021 . . . . 73.03 109.874 174.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -128.9 112.4 14.06 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.344 0.592 . . . . 73.54 110.221 173.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.82 -30.9 68.52 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.515 0.726 . . . . 73.22 111.402 177.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -84.7 115.37 22.64 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 121.229 0.537 . . . . 74.13 110.328 175.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -160.25 97.05 1.22 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.941 0.896 . . . . 75.13 109.424 175.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -86.6 21.57 2.14 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.075 0.55 . . . . 74.44 112.368 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -121.49 122.77 40.47 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.021 0.928 . . . . 75.11 110.594 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -87.47 153.8 21.14 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.585 0.754 . . . . 74.42 111.256 175.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 . . . . . 0 N--CA 1.481 1.09 0 C-N-CA 123.477 0.711 . . . . 73.14 110.741 178.48 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.439 ' SD ' ' N ' ' B' ' 1' ' ' MET . 1.4 mpt? . . . . . 0 CA--C 1.545 0.752 0 N-CA-C 109.829 -0.434 . . . . 70.0 109.829 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? 58.04 78.65 0.23 Allowed 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 124.883 1.273 . . . . 54.42 113.96 172.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 20.0 ptm -95.04 148.36 22.42 Favored 'General case' 0 N--CA 1.483 1.195 0 O-C-N 121.62 -0.675 . . . . 73.54 110.521 170.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.5 mp -53.54 -30.23 40.69 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.589 0.756 . . . . 72.11 112.382 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -64.93 -38.61 91.55 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 123.049 0.54 . . . . 73.11 112.052 -177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -65.94 -51.12 61.31 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.047 0.539 . . . . 73.43 111.263 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -23.27 60.38 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 112.236 0.458 . . . . 70.42 112.236 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.84 94.74 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 122.942 0.497 . . . . 74.52 111.104 170.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.98 -32.3 76.84 Favored Glycine 0 CA--C 1.537 1.45 0 CA-C-N 115.72 -0.673 . . . . 75.51 113.569 174.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.19 -43.2 78.64 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.223 0.609 . . . . 71.21 111.271 175.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.98 -36.1 82.38 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.334 0.654 . . . . 71.52 110.781 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.3 -46.18 91.38 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.678 0.791 . . . . 43.43 112.929 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.8 -53.04 38.54 Favored Glycine 0 C--N 1.347 1.14 0 O-C-N 124.128 0.892 . . . . 73.23 113.913 -175.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -65.0 -37.79 88.81 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 123.486 0.714 . . . . 64.43 112.544 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.698 HG23 HG21 ' B' ' 30' ' ' ILE . 77.3 mt -66.47 -43.47 90.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 C-N-CA 123.701 0.8 . . . . 71.22 111.838 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -61.97 -43.08 99.6 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.623 0.769 . . . . 75.13 111.523 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -64.46 -30.38 71.42 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.423 0.689 . . . . 73.11 112.434 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -33.26 74.59 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.197 0.522 . . . . 73.12 111.308 172.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.584 HD21 HD11 ' B' ' 30' ' ' ILE . 88.2 mt -87.43 -20.45 26.61 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.992 0.917 . . . . 63.42 112.563 177.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -70.46 124.65 24.72 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.89 0.476 . . . . 74.35 111.098 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.77 4.79 88.36 Favored Glycine 0 CA--C 1.54 1.594 0 CA-C-N 116.095 -0.502 . . . . 62.45 113.296 -173.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.547 HG22 ' H ' ' B' ' 24' ' ' GLY . 29.6 m -122.89 147.63 46.36 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.59 1.156 . . . . 64.25 109.745 -176.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.17 -22.28 62.06 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.789 0.436 . . . . 73.22 111.96 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.547 ' H ' HG22 ' B' ' 22' ' ' THR . . . 148.52 147.53 4.55 Favored Glycine 0 C--N 1.348 1.236 0 CA-C-N 116.225 -0.443 . . . . 73.32 112.061 -174.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.47 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 87.3 mt -138.95 159.01 43.16 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.789 0.835 . . . . 73.1 111.02 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 29.9 p -82.37 168.91 17.04 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 116.066 -0.516 . . . . 74.02 110.536 172.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -60.7 -31.64 70.9 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.39 0.276 . . . . 72.11 111.666 175.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -63.82 -48.9 74.97 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.645 0.778 . . . . 73.32 111.585 176.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.47 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 80.4 mm-40 -63.63 -47.29 81.95 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 115.568 -0.742 . . . . 62.44 111.506 -178.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.698 HG21 HG23 ' B' ' 15' ' ' ILE . 83.9 mt -68.08 -49.46 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 115.317 -0.856 . . . . 62.11 111.808 -177.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -59.46 -36.71 76.48 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 122.932 0.493 . . . . 44.45 110.958 -175.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -68.64 -47.89 65.44 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.779 0.832 . . . . 73.45 110.688 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.29 -31.59 71.42 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.42 0.688 . . . . 62.15 112.384 -178.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 80.8 p -93.18 -10.91 34.12 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.442 1.097 . . . . 54.35 112.107 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt 71.98 19.75 4.59 Favored 'General case' 0 CA--C 1.569 1.675 0 C-N-CA 124.956 1.303 . . . . 71.55 111.5 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.412 HD22 ' HB3' ' B' ' 41' ' ' ASP . 96.7 mt -75.94 154.71 35.73 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.474 0.71 . . . . 62.24 109.963 173.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -117.94 -40.05 3.03 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 112.514 0.561 . . . . 65.11 112.514 -170.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.21 150.11 20.61 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.635 0.774 . . . . 64.14 111.105 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -58.78 -34.92 71.99 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.515 1.126 . . . . 73.04 111.088 171.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -60.55 -37.06 80.03 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.036 1.334 . . . . 73.43 111.805 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.412 ' HB3' HD22 ' B' ' 36' ' ' LEU . 65.5 m-20 -61.29 -38.44 86.8 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.335 0.654 . . . . 72.13 110.941 178.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -70.94 -38.29 72.87 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.348 -0.842 . . . . 73.21 111.4 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -72.35 -44.14 63.05 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.333 0.494 . . . . 70.31 112.333 -175.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 mp -66.75 -31.55 72.28 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.147 0.579 . . . . 74.14 111.1 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLY . . . . . 0.572 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -74.38 -50.48 9.89 Favored Glycine 0 CA--C 1.538 1.503 0 CA-C-N 116.144 -0.48 . . . . 54.41 113.256 173.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 55.5 tp -64.37 -31.41 72.6 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.977 0.911 . . . . 64.43 111.722 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.98 -31.21 71.77 Favored Glycine 0 CA--C 1.535 1.293 0 CA-C-N 115.869 -0.605 . . . . 42.42 112.802 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' TRP . . . . . 0.495 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 7.1 t-105 -77.0 -34.12 57.53 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-O 121.583 0.706 . . . . 71.3 111.185 174.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.489 HD23 HG11 ' B' ' 55' ' ' VAL . 6.6 mp -66.0 -30.67 71.26 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.873 -0.517 . . . . 74.32 110.746 174.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.56 -36.13 57.8 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.124 0.97 . . . . 73.22 111.253 172.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.523 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -64.51 -35.71 81.84 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 122.526 0.33 . . . . 64.31 111.864 -178.755 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -95.89 0.65 52.28 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.193 0.597 . . . . 72.02 112.401 175.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 63.39 15.06 8.42 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 124.381 1.072 . . . . 25.14 112.166 176.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -84.22 6.02 24.31 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.906 0.882 . . . . 60.4 112.403 -172.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.489 HG11 HD23 ' B' ' 49' ' ' LEU . 29.5 m -137.38 171.69 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.658 0.783 . . . . 51.55 110.511 165.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.512 HG13 ' NZ ' ' B' ' 67' ' ' LYS . 7.4 p -143.42 144.62 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 114.742 -1.117 . . . . 74.23 108.642 169.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' THR . . . . . 0.511 HG22 HG12 ' B' ' 66' ' ' VAL . 74.5 p -100.3 156.21 17.36 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.082 0.553 . . . . 71.52 111.386 -168.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 47.0 t -146.82 160.46 42.25 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.908 0.883 . . . . 73.12 110.011 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -107.51 117.82 35.09 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.769 0.828 . . . . 72.14 108.833 174.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 40.5 t -114.91 107.87 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 122.889 0.476 . . . . 75.3 110.368 170.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 54.5 33.27 18.5 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 124.501 1.121 . . . . 73.13 112.885 174.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.88 13.43 60.83 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 115.934 -0.576 . . . . 64.35 114.023 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -115.36 146.57 41.44 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.502 0.721 . . . . 71.42 111.741 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 62.9 mt -74.93 108.28 6.41 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 C-N-CA 123.065 0.546 . . . . 71.13 110.387 174.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -115.5 104.16 11.47 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.63 1.172 . . . . 72.14 109.412 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.511 HG12 HG22 ' B' ' 57' ' ' THR . 34.7 m -109.71 156.51 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 123.078 0.551 . . . . 70.32 111.704 -176.144 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.512 ' NZ ' HG13 ' B' ' 56' ' ' VAL . 0.0 OUTLIER -158.66 154.93 27.24 Favored 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 122.924 0.49 . . . . 60.42 111.812 -174.889 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.474 HD23 HG12 ' B' ' 55' ' ' VAL . 39.8 mt -70.68 81.0 0.6 Allowed 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 112.72 0.637 . . . . 61.24 112.72 -174.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 23.8 t 57.55 16.82 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.58 2.112 0 C-N-CA 124.303 1.041 . . . . 65.55 112.38 176.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 88.5 mt -91.57 142.77 27.28 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.269 -0.895 . . . . 72.41 110.703 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -130.7 159.04 38.43 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 121.244 0.545 . . . . 64.42 112.185 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -165.47 159.83 17.27 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.605 1.162 . . . . 72.34 109.834 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -63.56 119.48 9.9 Favored 'General case' 0 CA--C 1.559 1.32 0 N-CA-C 113.406 0.891 . . . . 74.33 113.406 -172.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -163.07 93.74 0.8 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.582 1.153 . . . . 73.11 108.639 171.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -85.65 99.88 11.59 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-O 120.933 0.397 . . . . 71.21 111.691 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -170.5 125.56 0.73 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.011 0.925 . . . . 65.51 110.197 175.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 121.445 0.641 . . . . 71.2 111.725 178.43 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.488 1.461 0 N-CA-C 110.4 -0.222 . . . . 62.12 110.4 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm 66.68 24.67 9.99 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 124.81 1.244 . . . . 71.34 114.213 175.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.6 mtp -74.8 155.01 38.05 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 122.963 0.505 . . . . 75.33 111.151 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.03 -41.9 88.89 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.511 0.724 . . . . 74.13 110.291 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -59.25 -37.43 77.57 Favored 'General case' 0 CA--C 1.559 1.293 0 N-CA-C 113.031 0.752 . . . . 75.24 113.031 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -77.49 -43.76 31.1 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.571 0.749 . . . . 74.54 111.804 -175.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -70.02 -41.31 74.45 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 111.664 0.246 . . . . 53.41 111.664 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.69 -32.0 73.47 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.258 0.623 . . . . 53.51 110.712 174.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.14 -32.0 66.02 Favored Glycine 0 CA--C 1.541 1.676 0 CA-C-N 115.679 -0.691 . . . . 72.3 113.791 174.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.48 -45.46 65.64 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.413 0.685 . . . . 74.43 111.067 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.34 -37.96 85.17 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.768 0.827 . . . . 45.2 110.638 172.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.72 92.53 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.572 0.749 . . . . 75.35 112.93 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.69 -47.41 71.02 Favored Glycine 0 CA--C 1.536 1.401 0 O-C-N 123.832 0.708 . . . . 51.12 114.282 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -74.51 -38.47 62.81 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.423 0.689 . . . . 73.43 112.789 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.468 HD12 ' HA3' ' A' ' 45' ' ' GLY . 89.1 mt -69.37 -43.1 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 C-N-CA 122.63 0.372 . . . . 52.33 110.992 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -55.81 -45.25 78.33 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.722 0.809 . . . . 64.41 110.408 171.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -32.54 74.29 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 123.949 0.9 . . . . 73.13 111.271 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.77 -35.17 78.2 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.435 0.694 . . . . 64.42 111.04 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.4 mt -82.75 -16.03 49.55 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 123.703 0.801 . . . . 72.14 112.03 175.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -70.96 130.59 41.99 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 109.521 -0.548 . . . . 61.4 109.521 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.84 -38.62 3.16 Favored Glycine 0 CA--C 1.539 1.546 0 CA-C-N 116.246 -0.434 . . . . 73.23 112.825 -172.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.458 HG22 ' H ' ' A' ' 24' ' ' GLY . 2.6 m -88.64 149.01 23.75 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.763 0.825 . . . . 74.34 110.641 -177.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.31 1.06 55.95 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.045 0.538 . . . . 43.52 111.153 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.569 ' HA2' ' HB3' ' A' ' 67' ' ' LYS . . . 156.07 139.33 2.73 Favored Glycine 0 C--N 1.35 1.33 0 CA-C-O 120.076 -0.291 . . . . 72.11 112.683 -179.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.9 tp -151.63 150.49 30.33 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-N 117.183 0.492 . . . . 72.25 110.392 -177.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 79.5 p -88.53 156.61 18.98 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 122.894 0.478 . . . . 70.31 111.459 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -50.95 -40.75 58.27 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 124.885 1.274 . . . . 72.14 113.926 -174.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -69.73 -36.85 76.2 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.863 0.865 . . . . 62.35 112.517 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -77.81 -30.59 51.26 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.984 0.514 . . . . 73.13 111.091 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.5 mt -68.56 -45.46 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 123.364 0.666 . . . . 72.43 111.197 175.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -65.46 -25.5 67.52 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 122.527 0.331 . . . . 71.23 111.74 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -67.01 -50.25 62.72 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.078 0.551 . . . . 72.34 110.773 169.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.77 -34.14 77.49 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.765 0.826 . . . . 72.51 112.483 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.8 p -96.84 -7.19 34.18 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.37 1.068 . . . . 73.31 112.58 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? 65.88 30.31 9.96 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 124.752 1.221 . . . . 74.34 112.597 176.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.5 mt -75.91 129.6 37.2 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.237 0.615 . . . . 62.11 110.359 176.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -67.97 -49.52 61.18 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.342 0.657 . . . . 62.41 109.683 174.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.9 149.43 37.21 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.466 0.706 . . . . 63.23 112.023 -175.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.85 -22.08 66.51 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.378 1.071 . . . . 74.42 111.531 170.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -55.87 -37.55 68.96 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.733 0.813 . . . . 73.41 112.195 173.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.46 -34.15 75.44 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.163 0.585 . . . . 61.04 110.799 174.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -68.58 -33.25 73.74 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.812 -0.631 . . . . 62.33 111.28 174.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -72.28 -38.85 68.69 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 118.11 0.414 . . . . 73.04 111.973 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.36 -40.58 73.96 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 122.966 0.507 . . . . 64.04 111.105 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.468 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -66.36 -55.53 17.9 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-N 116.151 -0.477 . . . . 72.13 113.171 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.2 -33.98 74.34 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 124.14 0.976 . . . . 72.11 111.884 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.36 -33.69 87.93 Favored Glycine 0 N--CA 1.474 1.217 0 N-CA-C 112.147 -0.381 . . . . 73.12 112.147 175.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.509 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 51.2 t-105 -72.19 -39.4 68.65 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 122.943 0.497 . . . . 65.25 110.536 172.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.649 HD23 HG11 ' A' ' 55' ' ' VAL . 6.9 mp -57.05 -37.12 71.36 Favored 'General case' 0 N--CA 1.5 2.025 0 C-N-CA 123.409 0.683 . . . . 73.22 112.284 174.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.91 -42.96 80.32 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.704 0.802 . . . . 73.52 111.722 177.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.908 ' HB2' ' HB3' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -73.46 -22.69 60.11 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 120.561 0.22 . . . . 71.43 111.563 178.511 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.431 ' HB3' ' HE2' ' A' ' 54' ' ' LYS . 9.7 mm-40 -77.42 -22.16 51.98 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.056 0.943 . . . . 73.1 111.744 173.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.4 t0 64.61 22.27 12.6 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 124.288 1.035 . . . . 52.15 111.148 -177.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' ' 52' ' ' GLU . 53.8 mtmt -95.26 0.62 54.04 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.141 0.576 . . . . 73.41 112.431 -177.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.649 HG11 HD23 ' A' ' 49' ' ' LEU . 33.2 m -136.89 170.8 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 CA-C-O 121.987 0.898 . . . . 50.42 113.357 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.483 HG13 ' HE3' ' A' ' 67' ' ' LYS . 4.7 p -134.07 137.32 52.26 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 CA-C-N 113.812 -1.54 . . . . 71.54 109.681 165.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 82.6 p -103.56 156.84 17.47 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.593 0.757 . . . . 54.24 110.912 -175.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.2 t -153.95 171.01 19.68 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.876 0.87 . . . . 51.32 110.191 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -120.52 125.34 47.6 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.975 0.51 . . . . 71.25 111.101 176.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -110.25 107.39 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 109.087 -0.708 . . . . 75.1 109.087 167.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 52.45 48.44 22.6 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 125.372 1.469 . . . . 64.24 113.721 173.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.37 -3.63 86.88 Favored Glycine 0 C--N 1.352 1.429 0 N-CA-C 114.914 0.726 . . . . 64.03 114.914 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -117.16 152.02 35.64 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 117.626 0.713 . . . . 64.01 111.246 -175.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.1 mt -77.89 118.18 24.4 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.152 0 C-N-CA 123.054 0.542 . . . . 44.44 111.673 -173.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -117.44 110.89 18.56 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.09 1.356 . . . . 73.55 108.941 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.0 m -120.26 159.6 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.765 -0.584 . . . . 74.34 112.149 -175.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.569 ' HB3' ' HA2' ' A' ' 24' ' ' GLY . 0.2 OUTLIER -154.42 167.59 29.5 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.45 0.7 . . . . 74.24 109.805 178.537 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.526 HD23 HG12 ' A' ' 55' ' ' VAL . 58.8 mt -71.01 171.32 11.05 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.619 0.247 . . . . 71.32 110.934 173.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.4 t -69.07 94.39 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 N-CA-C 109.202 -0.666 . . . . 65.32 109.202 172.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.448 HD22 ' HB3' ' A' ' 75' ' ' HIS . 38.0 mt -74.49 93.47 2.47 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.697 -0.683 . . . . 74.14 110.679 -173.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -117.86 -38.67 3.21 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.7 0.8 . . . . 74.14 110.846 177.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -96.68 145.85 25.4 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.465 0.706 . . . . 72.14 111.638 -175.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -61.11 -14.97 28.08 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 114.403 1.26 . . . . 74.23 114.403 -174.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -67.01 -19.92 65.78 Favored 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 123.545 0.738 . . . . 74.32 112.41 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.448 ' HB3' HD22 ' A' ' 70' ' ' LEU . 25.1 m80 -107.99 13.33 26.22 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.741 0.816 . . . . 74.14 111.945 174.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -104.95 113.2 26.65 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.019 0.528 . . . . 73.42 110.5 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 45.5 m80 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 121.543 0.687 . . . . 73.5 110.019 175.641 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.55 0.953 0 CA-C-O 121.023 0.44 . . . . 64.33 111.377 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -125.74 166.91 15.92 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.922 0.889 . . . . 61.23 110.065 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 72.2 mtm -79.84 176.1 10.03 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 121.455 0.645 . . . . 72.24 112.337 -177.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.453 HD22 ' H ' ' B' ' 4' ' ' LEU . 2.4 mm? -63.8 -13.93 48.54 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.919 0.888 . . . . 73.22 112.18 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -62.72 -42.33 99.6 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.201 1.0 . . . . 74.25 110.859 171.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -62.54 -41.59 98.97 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.096 -0.956 . . . . 71.51 111.06 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -55.06 -55.17 33.97 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.604 -0.725 . . . . 75.03 111.255 172.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.73 -34.42 65.14 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.807 0.843 . . . . 71.2 112.239 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.13 -40.29 42.64 Favored Glycine 0 CA--C 1.541 1.68 0 CA-C-N 115.569 -0.741 . . . . 72.24 113.471 176.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.89 83.82 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.646 0.778 . . . . 32.11 111.793 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.401 HD13 ' O ' ' B' ' 41' ' ' ASP . 70.8 mt -70.5 -38.48 74.34 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.925 0.89 . . . . 54.53 110.465 175.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.01 -42.64 80.68 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.512 0.725 . . . . 64.22 112.685 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.32 -55.76 27.4 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-N 115.707 -0.678 . . . . 71.32 113.664 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -69.4 -36.92 77.23 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 112.737 0.643 . . . . 73.5 112.737 -175.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.528 ' HA ' HG21 ' B' ' 34' ' ' THR . 71.2 mt -64.02 -46.46 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 123.172 0.589 . . . . 72.01 111.162 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -60.84 -46.38 90.78 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 122.809 0.444 . . . . 75.03 111.23 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.65 -27.33 69.15 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.695 0.798 . . . . 71.43 112.413 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.22 -34.01 77.04 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.047 0.539 . . . . 55.42 111.828 174.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.579 HD21 HG23 ' B' ' 66' ' ' VAL . 8.6 mp -89.73 -15.6 32.13 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.555 0.742 . . . . 73.43 111.848 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -64.76 119.37 10.48 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.51 0.324 . . . . 71.24 110.673 -178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.18 -38.09 3.49 Favored Glycine 0 CA--C 1.537 1.457 0 CA-C-N 116.461 -0.336 . . . . 74.21 113.622 -173.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.9 p -84.96 171.43 12.14 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 117.293 0.547 . . . . 55.34 111.827 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -87.74 5.39 40.16 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.526 0.73 . . . . 64.44 111.356 173.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.504 ' HA3' ' HB3' ' B' ' 67' ' ' LYS . . . 124.03 154.72 8.99 Favored Glycine 0 C--N 1.353 1.515 0 C-N-CA 123.126 0.393 . . . . 64.12 113.677 -178.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 96.4 mt -133.83 156.19 48.48 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.82 0.848 . . . . 74.34 110.645 -177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 70.7 p -85.55 159.48 19.88 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.87 0.468 . . . . 64.4 110.273 172.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -53.69 -36.38 62.12 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.923 0.889 . . . . 74.21 112.632 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -57.18 -50.76 71.83 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.916 0.886 . . . . 64.43 112.362 172.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -67.49 -37.58 83.06 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.742 0.817 . . . . 75.02 111.817 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.2 mt -71.77 -45.33 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.603 0.761 . . . . 62.42 111.328 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.654 ' HG3' ' HB2' ' B' ' 36' ' ' LEU . 62.2 tttm -59.42 -44.12 92.94 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.57 0.748 . . . . 63.14 111.691 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -67.25 -44.01 80.48 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 122.86 0.464 . . . . 51.13 111.557 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.37 -49.7 74.49 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.079 0.552 . . . . 64.15 112.177 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.528 HG21 ' HA ' ' B' ' 15' ' ' ILE . 66.9 p -85.72 -9.53 57.02 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.683 0.793 . . . . 60.33 112.3 -178.117 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? 64.57 58.7 1.01 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.425 1.09 . . . . 74.13 111.962 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.654 ' HB2' ' HG3' ' B' ' 31' ' ' LYS . 67.1 mt -84.3 144.23 29.01 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 115.36 -0.836 . . . . 72.13 110.755 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -75.55 -37.87 59.67 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.498 0.719 . . . . 73.21 109.832 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.49 165.46 27.18 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.855 -1.066 . . . . 62.41 110.619 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.59 -23.83 65.43 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.73 0.812 . . . . 64.01 111.58 174.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -54.77 -34.09 62.19 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.046 0.938 . . . . 51.54 112.226 172.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.402 ' HB3' HD22 ' B' ' 36' ' ' LEU . 38.1 m-20 -64.57 -35.55 81.35 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.107 0.563 . . . . 61.23 110.983 176.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -68.52 -43.69 76.25 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.434 -0.348 . . . . 71.52 110.696 177.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -65.64 -43.73 88.55 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.982 0.513 . . . . 75.12 112.175 -175.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.27 -42.34 84.0 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.25 0.62 . . . . 62.52 111.437 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLY . . . . . 0.465 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -64.41 -44.1 95.8 Favored Glycine 0 CA--C 1.538 1.489 0 CA-C-N 116.52 -0.309 . . . . 75.15 113.171 175.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.1 tp -65.07 -32.54 74.31 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 124.154 0.981 . . . . 73.41 111.625 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.32 -31.91 80.41 Favored Glycine 0 N--CA 1.475 1.272 0 CA-C-N 115.863 -0.608 . . . . 75.11 112.567 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' TRP . . . . . 0.46 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 7.9 t-105 -76.72 -32.11 57.6 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 123.284 0.633 . . . . 75.43 110.611 175.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.549 ' HB3' HG22 ' B' ' 55' ' ' VAL . 5.9 mp -66.31 -30.1 70.45 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.086 0.554 . . . . 74.21 111.329 171.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.18 -38.18 75.32 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.779 0.832 . . . . 75.35 112.714 175.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.908 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 16.5 ptm180 -69.06 -28.91 66.95 Favored 'General case' 0 N--CA 1.5 2.032 0 CA-C-N 118.386 0.539 . . . . 72.54 111.764 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -90.8 -18.41 24.95 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.103 0.561 . . . . 72.33 110.622 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 30.1 t70 66.02 25.01 10.99 Favored 'General case' 0 CA--C 1.568 1.659 0 CA-C-O 122.363 1.077 . . . . 73.44 110.939 176.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -78.23 -10.84 59.83 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 115.519 -0.764 . . . . 74.3 112.038 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.549 HG22 ' HB3' ' B' ' 49' ' ' LEU . 33.2 m -133.08 164.36 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 CA-C-O 121.321 0.582 . . . . 52.14 111.612 178.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 6.6 p -135.35 143.99 35.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 C-N-CA 124.233 1.013 . . . . 53.0 109.401 174.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 65.6 p -100.58 142.83 31.51 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.369 0.667 . . . . 73.11 110.827 -172.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 59.9 m -142.3 153.86 44.24 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.204 1.002 . . . . 53.31 109.929 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -103.47 104.95 15.09 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.049 0.539 . . . . 74.04 110.044 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 55.2 t -105.24 109.34 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 109.464 -0.569 . . . . 65.02 109.464 170.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 57.48 38.68 28.21 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.152 1.381 . . . . 64.32 112.432 174.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.04 -28.29 8.95 Favored Glycine 0 CA--C 1.544 1.884 0 N-CA-C 114.849 0.7 . . . . 65.24 114.849 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -92.7 169.29 10.61 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 113.596 0.962 . . . . 61.3 113.596 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 63.3 mt -81.2 127.37 39.61 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 CA-C-N 114.86 -1.063 . . . . 71.03 111.788 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -126.74 111.52 14.34 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.227 1.411 . . . . 74.51 107.846 173.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.579 HG23 HD21 ' B' ' 19' ' ' LEU . 31.9 m -112.3 153.47 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-O 120.825 0.345 . . . . 71.53 110.916 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.504 ' HB3' ' HA3' ' B' ' 24' ' ' GLY . 21.4 pttp -150.81 152.16 33.37 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 116.077 -0.51 . . . . 73.03 111.357 -178.128 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.427 HD23 HG12 ' B' ' 55' ' ' VAL . 31.1 mt -69.37 129.45 39.81 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 116.099 -0.5 . . . . 52.45 111.491 -175.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 49.6 t -74.11 94.59 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 N-CA-C 109.257 -0.646 . . . . 63.31 109.257 171.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.47 -45.55 83.24 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.718 -0.673 . . . . 74.23 109.862 174.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -162.99 143.97 9.64 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.842 0.857 . . . . 73.11 108.692 174.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -71.37 -76.98 0.1 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.244 0.618 . . . . 61.15 111.592 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 33.7 p80 38.14 117.1 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 126.228 1.811 . . . . 74.51 115.377 -172.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -62.59 151.87 36.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.755 -0.591 . . . . 65.52 110.04 174.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 71.14 113.84 0.05 Allowed 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 124.954 1.302 . . . . 74.34 110.809 -166.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -122.5 144.74 48.88 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.493 0.717 . . . . 72.32 110.855 177.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 9.5 t60 . . . . . 0 N--CA 1.484 1.234 0 C-N-CA 123.31 0.644 . . . . 51.03 110.241 -178.749 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 mmt . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 113.11 0.781 . . . . 70.45 113.11 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -79.22 73.97 5.81 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-O 122.352 1.072 . . . . 73.3 111.185 -177.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.539 ' HB2' ' HG2' ' A' ' 6' ' ' GLU . 84.4 mtp -121.7 145.16 48.3 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.357 -1.292 . . . . 64.43 109.116 177.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.428 HD13 HG23 ' B' ' 64' ' ' ILE . 8.8 tt -53.25 -50.24 65.19 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.596 0.758 . . . . 55.34 111.659 -178.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -55.96 -44.26 78.29 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.518 1.127 . . . . 34.52 112.495 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.539 ' HG2' ' HB2' ' A' ' 3' ' ' MET . 23.9 mm-40 -71.81 -47.64 51.95 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.148 0.579 . . . . 61.44 111.757 -175.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -20.98 60.52 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 116.33 -0.395 . . . . 53.11 111.722 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.83 -38.07 89.27 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.123 0.569 . . . . 73.53 110.772 170.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.5 -35.47 81.53 Favored Glycine 0 CA--C 1.539 1.534 0 CA-C-N 115.791 -0.641 . . . . 73.03 113.8 173.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.05 80.53 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.253 0.621 . . . . 53.2 111.778 175.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 41' ' ' ASP . 75.6 mt -74.75 -32.63 62.14 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.86 0.864 . . . . 61.01 111.152 174.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.516 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -55.17 -41.28 71.66 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.619 0.768 . . . . 25.45 112.909 -178.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.37 -49.09 65.77 Favored Glycine 0 CA--C 1.534 1.249 0 CA-C-N 115.494 -0.776 . . . . 74.22 112.763 172.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -58.93 -53.4 58.84 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.907 0.883 . . . . 73.23 112.531 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.25 -39.29 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 C-N-CA 123.044 0.538 . . . . 75.51 110.551 -177.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -61.62 -43.09 99.52 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.018 0.527 . . . . 72.31 111.561 175.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.63 -23.34 67.03 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.959 0.904 . . . . 72.23 112.386 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.83 -40.71 63.12 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 122.464 0.306 . . . . 71.2 111.29 171.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.438 HD21 HG13 ' A' ' 66' ' ' VAL . 10.8 mp -82.45 -27.75 31.72 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 113.745 1.017 . . . . 71.22 113.745 -174.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -67.59 135.27 52.66 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 118.707 0.685 . . . . 70.31 112.124 -174.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.35 7.11 71.79 Favored Glycine 0 CA--C 1.54 1.625 0 CA-C-N 115.885 -0.598 . . . . 30.13 113.859 -175.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.5 m -122.02 157.61 30.98 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.289 1.036 . . . . 61.22 110.215 -175.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -69.74 -4.8 21.38 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 123.748 0.819 . . . . 73.52 112.366 175.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.43 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 112.1 155.98 13.02 Favored Glycine 0 C--N 1.343 0.926 0 C-N-CA 123.407 0.527 . . . . 73.04 111.808 -171.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.2 mt -130.9 160.01 35.74 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.138 0.494 . . . . 63.24 111.264 -176.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.1 p -86.72 165.45 16.07 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.228 -0.897 . . . . 71.33 110.158 171.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 17.3 pt20 -51.59 -43.74 62.57 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.209 0.604 . . . . 73.31 112.519 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -59.23 -47.7 84.37 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.105 0.962 . . . . 62.23 113.006 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -62.72 -42.01 99.45 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.177 0.591 . . . . 70.01 111.642 -178.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.7 mt -67.23 -38.72 81.54 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-N 115.06 -0.973 . . . . 72.03 111.379 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 27' ' ' GLN . 30.6 mtpp -56.79 -41.54 77.89 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 122.997 0.519 . . . . 62.31 111.818 175.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -68.91 -39.76 79.49 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.057 0.543 . . . . 75.02 111.68 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.84 -44.58 66.17 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 121.421 0.629 . . . . 60.24 111.803 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.8 p -82.51 -19.37 38.84 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 124.3 1.04 . . . . 61.01 112.357 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt 65.39 32.61 9.55 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.757 1.223 . . . . 74.44 111.997 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.8 mt -88.52 115.41 26.02 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.954 0.902 . . . . 63.44 110.16 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -70.41 -43.13 70.64 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.158 0.983 . . . . 61.43 110.987 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -95.39 141.92 28.38 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.031 0.532 . . . . 65.0 111.62 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -66.24 -24.55 66.61 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.522 0.729 . . . . 64.21 111.578 173.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.405 ' O ' HD13 ' A' ' 44' ' ' LEU . 47.1 mmtm -58.38 -36.13 73.04 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.876 0.871 . . . . 70.2 112.42 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' O ' HD13 ' A' ' 11' ' ' LEU . 11.7 m-20 -70.06 -36.91 75.32 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.051 0.54 . . . . 74.33 110.389 174.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -64.64 -41.74 95.94 Favored 'General case' 0 CA--C 1.555 1.165 0 CA-C-N 115.693 -0.685 . . . . 71.21 111.72 176.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -64.31 -37.13 86.41 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.207 0.603 . . . . 74.12 112.123 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 40' ' ' LYS . 9.4 mp -70.44 -47.26 61.54 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.397 0.679 . . . . 74.42 111.358 176.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.427 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -61.97 -55.14 29.87 Favored Glycine 0 C--N 1.352 1.423 0 CA-C-N 116.393 -0.367 . . . . 75.22 113.531 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.654 HD11 HG21 ' A' ' 66' ' ' VAL . 63.7 tp -58.28 -38.48 77.08 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.092 0.957 . . . . 64.44 111.903 175.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.55 -30.94 79.28 Favored Glycine 0 N--CA 1.472 1.089 0 CA-C-N 115.497 -0.774 . . . . 62.35 112.79 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.516 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 30.4 t-105 -77.08 -24.5 51.88 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.336 0.654 . . . . 72.25 111.34 175.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.453 HD23 HG11 ' A' ' 55' ' ' VAL . 6.1 mp -72.78 -36.43 67.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.927 -0.483 . . . . 73.33 110.342 169.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.438 HD23 HG23 ' A' ' 55' ' ' VAL . 98.3 mt -67.41 -38.58 84.85 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 115.576 -0.738 . . . . 54.01 110.396 175.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.66 ' HB2' ' HB3' ' B' ' 51' ' ' ARG . 2.3 ppt_? -66.04 -30.06 70.53 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.326 0.65 . . . . 75.33 111.362 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -96.56 3.87 52.37 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 112.843 0.683 . . . . 75.42 112.843 176.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 64.49 15.64 9.73 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 124.259 1.023 . . . . 71.25 112.331 174.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -80.54 -9.28 59.78 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.462 0.705 . . . . 72.45 112.826 -172.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.526 HG12 HD23 ' A' ' 68' ' ' LEU . 35.8 m -137.29 162.13 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-O 121.456 0.646 . . . . 62.35 112.063 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.5 p -129.98 134.01 63.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 124.249 1.019 . . . . 71.24 110.226 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.4 p -111.27 132.98 53.94 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.785 0.834 . . . . 75.23 111.472 -172.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.7 t -122.88 158.67 29.84 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.288 1.035 . . . . 75.02 110.294 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -99.86 103.61 15.22 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.239 0.616 . . . . 75.43 109.441 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.3 t -108.42 107.35 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-O 121.13 0.49 . . . . 72.22 110.298 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 49.28 31.14 3.52 Favored 'General case' 0 CA--C 1.561 1.365 0 C-N-CA 126.058 1.743 . . . . 52.23 114.607 173.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.64 5.03 57.89 Favored Glycine 0 CA--C 1.539 1.541 0 N-CA-C 115.689 1.036 . . . . 62.42 115.689 176.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -126.3 161.28 28.15 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 118.743 1.272 . . . . 72.43 111.559 174.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 55.9 mt -77.64 113.21 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-N 115.674 -0.694 . . . . 71.2 111.344 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -106.58 132.15 52.92 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.562 -0.903 . . . . 74.33 108.562 167.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.654 HG21 HD11 ' A' ' 46' ' ' LEU . 8.0 p -139.83 150.48 22.05 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 C-N-CA 122.572 0.349 . . . . 72.0 111.627 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.43 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 20.6 ptmt -147.96 157.46 43.53 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.323 0.649 . . . . 71.12 111.113 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.526 HD23 HG12 ' A' ' 55' ' ' VAL . 60.1 mt -67.05 137.16 56.21 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.588 0.355 . . . . 74.35 111.648 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.7 t -76.93 86.48 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 N-CA-C 108.753 -0.832 . . . . 63.25 108.753 165.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.6 mt -76.5 129.37 36.4 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 116.115 -0.493 . . . . 71.51 110.338 177.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -65.49 89.88 0.1 Allowed 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 121.801 0.81 . . . . 72.25 112.41 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -94.2 171.15 9.01 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 115.0 -1.0 . . . . 62.51 110.217 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -69.52 120.2 14.94 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 109.704 -0.48 . . . . 65.12 109.704 170.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -58.38 98.66 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.716 0.769 . . . . 74.4 112.905 -169.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -84.91 69.75 10.81 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 115.573 -0.739 . . . . 74.44 110.337 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -145.85 -172.68 3.96 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.82 0.848 . . . . 73.33 110.833 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 19.7 p80 . . . . . 0 N--CA 1.478 0.952 0 C-N-CA 123.785 0.834 . . . . 72.45 110.359 175.174 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 CA--C 1.548 0.874 0 N-CA-C 111.952 0.352 . . . . 74.31 111.952 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -75.31 77.65 2.41 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.216 0.531 . . . . 71.31 110.453 176.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.454 ' HB2' ' HB2' ' B' ' 6' ' ' GLU . 33.7 mmt -84.27 125.61 32.4 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.825 0.45 . . . . 74.43 110.329 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 mp -66.09 -20.37 66.14 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 121.319 0.58 . . . . 63.24 110.594 175.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -75.48 -35.18 60.89 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 123.969 0.908 . . . . 73.54 111.182 172.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.454 ' HB2' ' HB2' ' B' ' 3' ' ' MET . 11.1 tp10 -75.0 -47.25 30.1 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 122.799 0.44 . . . . 75.03 111.615 -175.008 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -34.96 64.4 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.421 0.688 . . . . 74.31 111.408 175.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.86 -32.5 71.92 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.273 1.029 . . . . 61.2 111.64 -176.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.99 -40.16 44.18 Favored Glycine 0 CA--C 1.535 1.339 0 CA-C-N 115.041 -0.982 . . . . 62.52 113.888 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.11 -47.49 74.01 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.007 0.523 . . . . 72.2 111.474 175.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.89 -30.63 71.68 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.875 0.87 . . . . 73.32 111.514 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.486 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -58.25 -45.78 87.17 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.093 0.557 . . . . 73.23 112.027 175.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.19 -42.71 98.74 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.645 -0.707 . . . . 60.32 113.368 176.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -72.89 -37.55 67.24 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.618 0.767 . . . . 64.32 112.026 -176.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 68.4 mt -69.91 -47.08 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 C-N-CA 123.574 0.75 . . . . 74.42 111.389 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -66.01 -47.46 74.39 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 123.085 0.554 . . . . 75.21 111.178 -178.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -62.38 -30.02 70.9 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 112.523 0.564 . . . . 61.12 112.523 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.43 -30.15 71.19 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.871 0.468 . . . . 53.32 111.569 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.52 HD21 HG12 ' B' ' 30' ' ' ILE . 80.0 mt -93.44 -14.71 26.41 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 123.861 0.864 . . . . 72.11 112.536 178.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -65.12 120.59 12.96 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 122.707 0.403 . . . . 61.33 110.586 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.81 -33.52 6.5 Favored Glycine 0 CA--C 1.536 1.359 0 CA-C-N 115.693 -0.685 . . . . 61.31 113.142 -175.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 12.1 p -83.05 173.0 12.13 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.341 0.656 . . . . 65.11 111.443 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -81.51 1.32 34.0 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.981 0.512 . . . . 70.31 112.324 175.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.65 139.86 11.07 Favored Glycine 0 C--N 1.349 1.288 0 C-N-CA 123.028 0.346 . . . . 62.51 112.408 -173.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.483 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 83.8 mt -127.91 166.04 19.06 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 122.996 0.518 . . . . 71.23 111.702 -173.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' B' ' 65' ' ' PHE . 82.2 p -81.76 169.17 17.25 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 122.896 0.478 . . . . 73.0 111.078 178.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLN . . . . . 0.432 ' HB3' ' HB ' ' B' ' 64' ' ' ILE . 4.7 pt20 -53.52 -38.82 64.12 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.383 0.673 . . . . 74.43 112.494 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -61.48 -45.02 96.0 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.797 0.839 . . . . 72.34 111.509 178.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.483 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 18.8 mm-40 -74.25 -28.23 61.12 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.613 0.765 . . . . 71.34 112.596 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.52 HG12 HD21 ' B' ' 19' ' ' LEU . 89.3 mt -72.48 -47.59 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 122.981 0.512 . . . . 65.31 110.558 175.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -59.99 -25.71 65.47 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.117 0.967 . . . . 72.53 111.808 173.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -68.7 -56.45 8.11 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 123.546 0.738 . . . . 71.31 110.798 172.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.06 -35.83 78.86 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 113.177 0.806 . . . . 53.1 113.177 -173.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 65.0 p -93.21 -13.0 28.89 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.71 0.804 . . . . 73.41 112.097 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm 67.88 19.2 9.55 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 125.048 1.339 . . . . 62.24 111.856 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -76.77 82.15 3.37 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.124 0.57 . . . . 74.33 110.447 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -67.22 -19.72 65.58 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.495 0.718 . . . . 74.41 112.408 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.59 135.4 33.51 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 109.781 -0.452 . . . . 60.12 109.781 172.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -64.18 -35.16 79.87 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.352 1.061 . . . . 72.21 111.621 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -57.38 -46.79 83.05 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.054 1.341 . . . . 71.12 113.107 -175.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.12 -32.74 74.42 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.647 0.779 . . . . 72.31 111.409 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -65.26 -48.21 74.03 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 116.027 -0.533 . . . . 61.23 111.259 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -63.37 -41.4 98.81 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 122.919 0.488 . . . . 72.53 112.219 -174.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -69.1 -44.56 72.21 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.166 0.586 . . . . 53.52 111.445 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLY . . . . . 0.443 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -61.73 -46.02 95.06 Favored Glycine 0 N--CA 1.479 1.538 0 O-C-N 123.098 0.249 . . . . 72.54 112.903 175.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.04 -37.33 84.54 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.243 1.017 . . . . 73.43 111.814 177.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.24 -31.1 77.94 Favored Glycine 0 N--CA 1.474 1.194 0 CA-C-N 115.958 -0.565 . . . . 51.34 112.783 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' TRP . . . . . 0.486 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 8.8 t-105 -77.21 -30.59 54.77 Favored 'General case' 0 CA--C 1.561 1.369 0 C-N-CA 123.538 0.735 . . . . 74.12 111.153 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.678 HD23 HG11 ' B' ' 55' ' ' VAL . 5.2 mp -62.44 -30.78 71.48 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.022 0.439 . . . . 74.32 110.953 171.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 37.6 mt -70.45 -34.98 73.07 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-N 115.498 -0.774 . . . . 74.33 112.368 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.66 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 8.3 ptp180 -62.61 -35.6 80.08 Favored 'General case' 0 N--CA 1.504 2.258 0 N-CA-C 113.16 0.8 . . . . 60.23 113.16 -178.153 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.65 ' HG3' ' HG3' ' B' ' 51' ' ' ARG . 46.7 mt-10 -94.61 -8.34 38.33 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.812 0.445 . . . . 73.33 111.188 -177.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 63.94 28.26 14.47 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.229 1.012 . . . . 65.3 110.617 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.43 ' HD2' ' HB2' ' B' ' 52' ' ' GLU . 15.6 ptmt -84.99 -3.24 58.7 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.897 0.879 . . . . 74.33 112.066 -171.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.678 HG11 HD23 ' B' ' 49' ' ' LEU . 34.4 m -133.35 158.41 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 C-N-CA 123.411 0.684 . . . . 51.12 112.544 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 79.6 t -110.37 124.24 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.984 0.914 . . . . 64.44 109.407 167.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 76.0 p -104.27 133.36 49.32 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.891 0.476 . . . . 64.2 109.995 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 77.4 p -141.31 161.94 36.68 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.303 0.641 . . . . 75.32 110.401 -177.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -105.62 106.86 17.56 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.049 0.94 . . . . 75.2 110.009 -174.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 79.4 t -118.14 106.99 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 CA-C-O 120.843 0.354 . . . . 54.24 110.177 175.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 50.38 38.69 18.65 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 125.52 1.528 . . . . 72.33 113.174 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.72 -22.31 39.91 Favored Glycine 0 CA--C 1.543 1.787 0 CA-C-N 115.649 -0.705 . . . . 45.33 114.276 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -83.38 142.94 30.65 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.694 0.759 . . . . 75.13 112.914 -178.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.432 ' HB ' ' HB3' ' B' ' 27' ' ' GLN . 67.3 mt -74.71 97.3 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 CA-C-N 114.453 -1.248 . . . . 54.43 110.309 173.149 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' PHE . . . . . 0.458 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 17.0 t80 -90.88 106.43 18.51 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.571 0.748 . . . . 75.02 110.34 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 39.9 t -106.46 117.21 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.462 0.705 . . . . 64.14 111.121 -174.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -109.0 165.19 11.77 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.837 0.855 . . . . 62.24 109.473 174.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 25.1 mt -99.62 140.09 34.32 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-N 118.393 0.542 . . . . 74.21 110.918 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 98.2 t -71.18 88.42 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 CA-C-O 121.426 0.632 . . . . 74.31 109.616 171.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.51 ' H ' HD23 ' B' ' 70' ' ' LEU . 2.1 pt? -66.99 86.7 0.14 Allowed 'General case' 0 CA--C 1.562 1.439 0 CA-C-N 115.135 -0.939 . . . . 74.03 110.694 176.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -71.45 106.98 4.15 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 121.628 0.728 . . . . 65.22 111.711 -176.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -129.58 93.97 3.66 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 108.034 -1.099 . . . . 70.41 108.034 171.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -73.07 75.19 1.23 Allowed 'General case' 0 CA--C 1.56 1.34 0 CA-C-O 121.996 0.903 . . . . 73.32 111.876 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -85.4 83.47 7.94 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 115.473 -0.785 . . . . 72.52 112.011 -174.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -75.78 -22.83 56.03 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 116.089 -0.505 . . . . 61.53 110.961 170.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 53.6 t60 61.17 35.89 18.28 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.652 1.181 . . . . 65.42 111.579 174.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 19.3 t60 . . . . . 0 N--CA 1.473 0.687 0 C-N-CA 123.675 0.79 . . . . 74.24 110.228 -178.234 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 112.432 0.53 . . . . 72.13 112.432 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.5 tptt 63.59 16.31 9.56 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 124.767 1.227 . . . . 73.11 112.353 176.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.29 148.4 22.91 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.531 0.732 . . . . 75.23 110.589 -172.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.52 HD12 ' HD3' ' A' ' 7' ' ' LYS . 34.7 tp -54.86 -30.14 57.11 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 123.897 0.879 . . . . 64.31 111.797 174.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -65.99 -40.49 91.21 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 124.128 0.971 . . . . 74.54 112.275 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.16 -51.71 68.42 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.478 0.711 . . . . 64.33 111.683 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.52 ' HD3' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -66.32 -42.61 87.99 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.841 -0.618 . . . . 62.45 111.313 177.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 7' ' ' LYS . . . -63.57 -32.48 73.96 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.52 0.728 . . . . 64.12 111.429 -176.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.89 -33.08 58.12 Favored Glycine 0 CA--C 1.536 1.405 0 CA-C-N 114.995 -1.002 . . . . 65.53 113.386 176.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.71 -39.42 64.35 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.348 0.659 . . . . 72.31 111.123 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 91.3 mt -65.38 -36.34 83.68 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.78 0.832 . . . . 72.32 110.287 173.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.97 -45.24 87.05 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.705 0.802 . . . . 74.1 111.93 174.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.43 -40.41 97.58 Favored Glycine 0 CA--C 1.54 1.604 0 CA-C-N 115.73 -0.668 . . . . 53.01 113.549 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -69.57 -46.11 67.12 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.736 0.814 . . . . 74.12 111.942 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.667 HG23 HG21 ' A' ' 30' ' ' ILE . 68.1 mt -68.03 -38.43 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 123.969 0.908 . . . . 52.41 111.645 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -64.14 -46.08 85.66 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 122.791 0.436 . . . . 75.15 110.893 173.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -63.2 -26.27 68.72 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 112.63 0.604 . . . . 74.13 112.63 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.01 84.84 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 121.093 0.473 . . . . 54.54 110.584 171.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.48 -22.02 57.57 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.182 0.993 . . . . 44.24 112.24 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -76.76 126.66 31.36 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.185 0.594 . . . . 60.44 109.649 -178.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.28 -4.06 66.91 Favored Glycine 0 CA--C 1.538 1.472 0 CA-C-N 116.217 -0.447 . . . . 51.34 112.945 -170.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.3 p -126.67 168.63 14.09 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.93 0.892 . . . . 71.34 110.281 174.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -100.59 7.81 43.79 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.111 0.565 . . . . 73.22 111.81 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.71 136.05 2.72 Favored Glycine 0 C--N 1.35 1.342 0 N-CA-C 113.885 0.314 . . . . 62.3 113.885 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.483 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 84.2 mt -132.18 160.24 36.67 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.598 1.159 . . . . 60.02 110.268 177.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.3 p -88.59 -178.0 5.71 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.339 0.655 . . . . 72.11 111.161 171.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -56.11 -48.19 76.64 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.698 0.399 . . . . 62.13 111.891 176.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -49.99 75.57 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.576 0.75 . . . . 71.35 111.987 -178.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.483 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 51.4 mt-30 -61.46 -35.33 77.31 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.613 0.765 . . . . 64.02 112.332 -174.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.667 HG21 HG23 ' A' ' 15' ' ' ILE . 76.5 mt -74.81 -49.8 28.02 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 C-N-CA 123.154 0.582 . . . . 73.43 111.345 173.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -56.74 -27.19 58.85 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 124.817 1.247 . . . . 75.4 111.873 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -67.92 -52.72 32.93 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.51 1.124 . . . . 70.54 111.524 172.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.16 -40.17 82.4 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.484 0.714 . . . . 53.31 112.181 -176.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.7 p -84.28 -26.36 28.63 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.446 1.098 . . . . 61.14 112.143 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt 59.83 37.73 21.7 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 124.662 1.185 . . . . 74.13 112.172 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.539 ' HB3' ' HB2' ' A' ' 41' ' ' ASP . 94.1 mt -68.36 124.02 22.37 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.539 -0.755 . . . . 64.33 109.994 174.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -55.05 -34.99 64.01 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.091 0.956 . . . . 73.52 113.303 -170.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.95 174.21 10.87 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.746 0.818 . . . . 64.12 111.341 -176.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.51 -33.07 75.03 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 114.796 -1.093 . . . . 65.44 111.272 170.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -55.13 -43.34 74.03 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.873 1.269 . . . . 70.4 112.538 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.539 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 2.9 m-20 -62.32 -38.46 89.53 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 124.235 1.014 . . . . 65.11 110.449 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -65.68 -39.98 91.88 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 114.801 -1.09 . . . . 75.34 112.267 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.474 ' CE2' ' HD2' ' B' ' 40' ' ' LYS . 43.7 m-85 -66.56 -33.29 75.35 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 112.551 0.575 . . . . 72.0 112.551 -178.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.9 mp -66.91 -39.38 87.38 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.229 0.612 . . . . 64.22 111.44 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.651 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -76.15 -53.32 5.74 Favored Glycine 0 CA--C 1.537 1.435 0 CA-C-N 116.325 -0.398 . . . . 62.33 113.345 177.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.34 -36.34 77.75 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 123.85 0.86 . . . . 72.1 112.053 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.36 -30.57 78.21 Favored Glycine 0 N--CA 1.477 1.375 0 CA-C-N 115.258 -0.883 . . . . 64.44 112.066 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.643 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 7.3 t-105 -71.21 -44.4 65.46 Favored 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 123.316 0.646 . . . . 72.21 110.504 172.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.511 HD23 HG11 ' A' ' 55' ' ' VAL . 6.2 mp -58.06 -29.5 65.45 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.247 0.619 . . . . 63.22 111.957 177.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.2 mt -71.02 -43.75 67.28 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.297 0.639 . . . . 71.23 112.649 171.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.643 ' HE ' ' HA ' ' A' ' 48' ' ' TRP . 12.9 ptp180 -59.78 -29.03 67.92 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 113.58 0.955 . . . . 71.33 113.58 -170.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -99.78 -6.8 26.37 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.847 0.859 . . . . 73.25 112.853 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 61.23 46.43 7.95 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.832 0.853 . . . . 61.33 109.945 -168.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -93.58 -15.67 25.17 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 114.886 -1.052 . . . . 72.3 111.053 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.511 HG11 HD23 ' A' ' 49' ' ' LEU . 35.3 m -137.22 165.74 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 C-N-CA 123.772 0.829 . . . . 75.42 112.067 173.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.1 t -112.22 124.91 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 124.079 0.952 . . . . 73.02 109.212 169.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.5 p -112.58 133.81 54.43 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.294 0.638 . . . . 73.24 110.394 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 64.2 m -135.05 154.62 51.64 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.501 1.121 . . . . 53.13 110.187 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -97.84 107.1 19.52 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.41 0.684 . . . . 64.33 109.375 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 64.8 t -115.35 108.77 26.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.644 0.778 . . . . 53.31 109.861 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 54.03 32.51 15.7 Favored 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 124.796 1.239 . . . . 71.14 113.174 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.11 -25.64 23.04 Favored Glycine 0 CA--C 1.543 1.786 0 CA-C-N 116.197 -0.456 . . . . 74.14 114.196 -176.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -77.04 142.91 39.65 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.299 1.04 . . . . 65.21 111.715 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.9 mt -80.04 101.03 4.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 N-CA-C 109.257 -0.646 . . . . 62.44 109.257 169.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -88.76 142.64 27.5 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.329 0.652 . . . . 71.41 109.513 171.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.0 p -139.73 146.57 25.03 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 C-N-CA 123.131 0.573 . . . . 75.22 111.125 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -139.71 178.5 7.19 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.779 0.831 . . . . 44.45 109.637 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.1 mt -90.58 168.79 11.54 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 122.449 1.118 . . . . 71.33 113.903 -176.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.2 t -110.48 134.95 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 113.637 -1.62 . . . . 73.24 110.846 175.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.74 -51.72 6.59 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.794 0.837 . . . . 71.44 109.317 171.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.9 179.29 8.36 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.483 0.713 . . . . 73.52 111.036 -176.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -100.34 58.52 0.97 Allowed 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.154 0.582 . . . . 71.25 111.183 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -133.56 -38.32 0.92 Allowed 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 123.152 0.581 . . . . 74.42 112.085 175.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -89.37 32.48 0.85 Allowed 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 112.739 0.644 . . . . 72.52 112.739 -174.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -133.11 30.94 3.9 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 123.835 0.854 . . . . 73.04 109.151 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -61.04 -23.84 65.74 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 124.119 0.968 . . . . 71.32 113.55 -168.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 11.7 p80 . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 121.93 0.871 . . . . 63.12 111.44 175.859 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 CA--C 1.546 0.824 0 CA-C-O 121.013 0.435 . . . . 74.23 111.301 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -112.78 38.0 2.92 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.572 0.749 . . . . 71.22 109.949 174.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 12.6 tpt -55.86 123.88 15.72 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.942 0.897 . . . . 62.23 112.347 -172.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 mp -65.66 -20.47 66.31 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 123.294 0.638 . . . . 72.53 111.592 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.427 ' HE2' ' HH2' ' B' ' 48' ' ' TRP . 20.5 tptm -62.17 -55.96 23.52 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.948 0.899 . . . . 73.44 111.704 167.267 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -78.9 -35.42 43.58 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 112.906 0.706 . . . . 73.31 112.906 -168.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -31.6 71.08 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 117.727 0.239 . . . . 72.0 111.245 178.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.92 80.57 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.27 0.628 . . . . 64.11 111.579 173.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.09 -32.09 63.49 Favored Glycine 0 CA--C 1.543 1.804 0 CA-C-N 115.808 -0.633 . . . . 73.14 114.322 175.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.82 -41.81 67.74 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.197 0.599 . . . . 61.13 111.219 176.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.6 mt -62.33 -39.87 94.51 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.309 1.044 . . . . 72.03 110.571 172.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -58.62 -38.73 78.64 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.137 0.975 . . . . 50.23 112.283 176.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.98 -44.0 98.73 Favored Glycine 0 CA--C 1.536 1.388 0 CA-C-N 115.788 -0.642 . . . . 73.2 113.01 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -62.69 -47.28 84.31 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.437 0.695 . . . . 74.44 111.515 177.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.472 HD11 ' HA ' ' B' ' 42' ' ' PHE . 74.2 mt -67.81 -36.06 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 123.788 0.835 . . . . 73.11 111.619 -177.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -63.75 -49.02 74.66 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.725 0.41 . . . . 74.32 110.106 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.94 -33.45 71.92 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.965 0.506 . . . . 61.01 111.711 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.0 93.01 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.822 0.849 . . . . 33.43 112.239 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.506 HD21 HG13 ' B' ' 66' ' ' VAL . 9.9 mp -86.52 -13.99 44.32 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.612 0.765 . . . . 63.15 111.856 177.129 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -73.11 129.79 38.86 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.331 0.652 . . . . 71.32 111.095 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.75 1.77 90.59 Favored Glycine 0 CA--C 1.543 1.793 0 N-CA-C 114.359 0.504 . . . . 72.14 114.359 -178.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.3 p -124.15 169.39 11.76 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.776 0.83 . . . . 72.04 110.333 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -9.57 59.31 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.252 1.021 . . . . 73.03 113.244 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.535 ' HA3' ' HG2' ' B' ' 67' ' ' LYS . . . 122.51 143.23 6.4 Favored Glycine 0 N--CA 1.484 1.855 0 CA-C-N 117.83 0.287 . . . . 51.21 113.032 -179.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mp -127.33 162.73 25.58 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.176 0.59 . . . . 71.4 111.9 -172.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 70.1 p -87.85 162.92 16.68 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.571 0.749 . . . . 70.4 110.248 169.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -51.25 -44.86 61.86 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 114.592 1.331 . . . . 74.05 114.592 -169.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -65.91 -39.49 90.61 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 123.149 0.579 . . . . 63.42 112.175 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -66.64 -32.67 74.14 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.697 0.799 . . . . 72.33 111.393 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.401 HG21 HG23 ' B' ' 15' ' ' ILE . 64.1 mt -70.57 -44.69 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.28 0.632 . . . . 71.24 110.464 174.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -60.44 -26.05 66.45 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.725 0.81 . . . . 62.1 111.976 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -66.2 -55.12 17.8 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.515 0.726 . . . . 62.34 111.572 170.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.92 -39.14 87.27 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.22 0.608 . . . . 72.43 112.175 -176.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 72.1 p -78.69 -21.14 48.63 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.222 1.009 . . . . 75.35 111.795 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp 64.9 27.87 12.75 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 124.866 1.266 . . . . 61.21 111.59 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 83.1 mt -83.85 125.87 32.4 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.79 0.836 . . . . 75.2 110.377 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -78.41 -49.01 14.27 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.282 0.633 . . . . 74.22 110.653 176.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.48 129.48 35.77 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.174 0.59 . . . . 72.13 111.797 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.13 -27.22 68.58 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.704 0.802 . . . . 61.13 111.606 172.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.474 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 26.0 mmtp -70.55 -40.51 73.34 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.737 0.815 . . . . 63.3 111.568 -171.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.32 -33.37 75.67 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 123.125 0.57 . . . . 51.22 111.134 172.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 0.472 ' HA ' HD11 ' B' ' 15' ' ' ILE . 39.0 t80 -64.54 -41.04 96.61 Favored 'General case' 0 CA--C 1.563 1.463 0 C-N-CA 122.901 0.48 . . . . 72.44 111.478 171.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -68.61 -39.31 80.91 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 111.923 0.342 . . . . 73.31 111.923 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.25 -40.89 90.49 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.346 0.658 . . . . 74.31 111.105 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLY . . . . . 0.426 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -67.35 -48.75 56.4 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 116.288 -0.415 . . . . 52.14 113.437 176.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.55 -31.53 72.79 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.802 0.841 . . . . 73.33 111.459 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.06 -31.34 79.08 Favored Glycine 0 N--CA 1.475 1.235 0 CA-C-N 115.409 -0.814 . . . . 55.34 112.388 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' TRP . . . . . 0.438 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 31.2 t-105 -74.54 -32.12 62.34 Favored 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 123.58 0.752 . . . . 65.4 111.157 175.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.606 HD23 HG11 ' B' ' 55' ' ' VAL . 6.4 mp -63.94 -31.69 72.96 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.091 0.557 . . . . 75.45 111.202 171.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.11 -41.48 81.69 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.557 0.743 . . . . 52.31 112.424 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.469 ' HD3' ' HG3' ' B' ' 52' ' ' GLU . 0.0 OUTLIER -71.97 -16.23 62.08 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 113.086 0.772 . . . . 70.23 113.086 -177.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.469 ' HG3' ' HD3' ' B' ' 51' ' ' ARG . 42.6 mt-10 -102.64 -16.29 16.1 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.968 0.507 . . . . 73.14 111.732 172.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 61.01 35.26 19.01 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.104 0.961 . . . . 73.11 112.144 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -82.57 -2.13 52.8 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 116.158 -0.474 . . . . 64.31 110.746 176.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.606 HG11 HD23 ' B' ' 49' ' ' LEU . 29.4 m -135.03 159.53 41.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 N-CA-C 113.132 0.79 . . . . 42.44 113.132 178.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.641 HG23 ' HA ' ' B' ' 69' ' ' VAL . 73.3 t -113.47 123.27 68.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 114.672 -1.149 . . . . 60.41 108.386 163.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 36.1 p -106.82 144.87 32.85 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.894 0.878 . . . . 60.3 111.298 -176.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 96.9 p -152.12 172.62 16.06 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.277 1.031 . . . . 55.33 109.866 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -119.88 113.66 20.9 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 109.529 -0.545 . . . . 74.12 109.529 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.0 t -123.0 119.7 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.37 1.068 . . . . 70.31 110.167 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 50.22 35.25 10.03 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 125.576 1.55 . . . . 64.14 113.997 176.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.28 4.7 70.87 Favored Glycine 0 CA--C 1.543 1.797 0 N-CA-C 115.078 0.791 . . . . 71.43 115.078 176.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -119.79 159.32 24.79 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.742 0.817 . . . . 71.43 111.579 174.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 57.4 mt -79.54 107.63 12.18 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 CA-C-N 116.049 -0.523 . . . . 74.14 109.843 172.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -99.05 125.6 44.58 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.293 0.637 . . . . 75.42 109.679 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.506 HG13 HD21 ' B' ' 19' ' ' LEU . 4.0 p -139.71 144.79 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.411 0 N-CA-C 112.34 0.496 . . . . 65.13 112.34 -174.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.535 ' HG2' ' HA3' ' B' ' 24' ' ' GLY . 51.5 mtmt -128.62 161.01 30.64 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 124.38 1.072 . . . . 73.1 109.819 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.442 HD23 HG12 ' B' ' 55' ' ' VAL . 72.0 mt -80.17 65.95 5.5 Favored 'General case' 0 N--CA 1.5 2.039 0 CA-C-N 119.151 0.887 . . . . 61.33 111.38 175.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.641 ' HA ' HG23 ' B' ' 56' ' ' VAL . 11.1 t 49.63 27.79 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.223 0 C-N-CA 124.879 1.272 . . . . 74.14 111.989 -174.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 70.4 mt -73.57 98.22 2.78 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.701 0.801 . . . . 73.21 110.612 -175.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 62.48 86.47 0.11 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.186 1.394 . . . . 72.42 111.471 -177.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -83.82 100.01 10.68 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 109.398 -0.593 . . . . 75.44 109.398 173.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -135.24 176.07 9.01 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.854 0.862 . . . . 74.51 110.678 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -78.17 121.11 23.91 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 122.986 0.515 . . . . 65.22 110.342 172.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -67.41 139.53 57.13 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.17 0.588 . . . . 72.13 111.45 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -86.3 171.6 11.1 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.63 0.772 . . . . 74.05 111.597 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 30.0 m80 . . . . . 0 N--CA 1.482 1.173 0 C-N-CA 123.37 0.668 . . . . 73.44 110.931 -177.204 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 ptt? . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 110.445 -0.206 . . . . 65.04 110.445 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -162.69 -24.25 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 112.687 0.625 . . . . 74.33 112.687 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.453 ' HG3' ' H ' ' A' ' 6' ' ' GLU . 23.1 ptp -154.21 156.39 37.0 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 113.038 0.755 . . . . 74.13 113.038 -176.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.61 -22.58 66.68 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.459 1.104 . . . . 72.31 111.975 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -68.44 -36.96 79.78 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.437 0.695 . . . . 71.34 111.299 173.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.453 ' H ' ' HG3' ' A' ' 3' ' ' MET . 23.7 tt0 -71.94 -49.45 37.42 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.483 0.313 . . . . 71.14 111.626 -174.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -63.66 -25.23 68.12 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 111.74 0.274 . . . . 61.33 111.74 179.227 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.85 95.03 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.046 0.538 . . . . 71.45 110.718 171.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.04 -35.24 64.6 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 115.186 -0.915 . . . . 75.04 113.697 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.19 -43.51 97.99 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.336 0.655 . . . . 73.42 112.043 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 75.5 mt -77.19 -18.81 57.47 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.476 0.71 . . . . 73.1 111.953 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.39 -53.27 60.08 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.218 0.607 . . . . 61.4 112.539 177.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.34 -42.03 81.69 Favored Glycine 0 CA--C 1.54 1.629 0 N-CA-C 115.081 0.792 . . . . 33.23 115.081 -178.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -74.48 -36.03 63.27 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 122.855 0.462 . . . . 73.21 112.191 -177.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.537 HG23 HG21 ' A' ' 30' ' ' ILE . 68.8 mt -67.9 -41.88 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 C-N-CA 122.79 0.436 . . . . 75.32 110.303 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.47 ' CD1' ' HE2' ' A' ' 54' ' ' LYS . 80.9 t90 -57.22 -47.27 81.75 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.444 0.698 . . . . 73.21 110.856 175.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -64.88 -30.27 71.26 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.94 0.896 . . . . 65.13 113.093 177.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.82 -37.73 87.02 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-O 121.108 0.48 . . . . 75.4 110.885 174.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.515 ' HA ' HD13 ' A' ' 25' ' ' LEU . 8.4 mp -81.24 -25.77 36.38 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.992 0.917 . . . . 72.33 112.178 177.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -69.16 135.71 51.06 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 112.27 0.471 . . . . 71.32 112.27 -174.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.11 5.68 89.94 Favored Glycine 0 CA--C 1.538 1.517 0 CA-C-N 115.626 -0.715 . . . . 73.52 113.717 -175.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.3 m -124.94 160.68 28.33 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.993 0.917 . . . . 71.2 109.943 -177.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -86.08 -0.03 54.61 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.273 0.629 . . . . 74.41 112.377 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.39 139.2 4.16 Favored Glycine 0 C--N 1.353 1.487 0 N-CA-C 113.919 0.328 . . . . 71.02 113.919 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.515 HD13 ' HA ' ' A' ' 19' ' ' LEU . 5.4 mp -122.99 154.43 38.45 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.689 0.795 . . . . 73.44 110.105 178.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.8 p -91.06 163.19 14.39 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 109.565 -0.532 . . . . 74.24 109.565 167.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -54.4 -30.02 50.83 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.946 0.899 . . . . 55.22 113.383 -176.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -41.66 99.11 Favored 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 123.771 0.829 . . . . 55.14 112.275 175.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -76.94 -38.87 52.52 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.7 0.8 . . . . 70.52 112.744 -176.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.537 HG21 HG23 ' A' ' 15' ' ' ILE . 51.4 mt -62.55 -45.07 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 C-N-CA 123.378 0.671 . . . . 53.31 112.462 -173.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -65.07 -25.28 67.74 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.11 0.564 . . . . 72.35 112.358 -177.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -65.13 -49.75 68.73 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.527 0.731 . . . . 61.03 110.763 170.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.48 -33.05 70.81 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 115.457 -0.792 . . . . 62.12 112.568 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.2 p -94.11 -22.31 18.56 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.807 0.843 . . . . 75.42 112.67 -177.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt 69.16 23.04 6.54 Favored 'General case' 0 CA--C 1.571 1.776 0 C-N-CA 124.929 1.292 . . . . 65.2 112.31 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.4 mt -64.72 -38.97 92.8 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 112.638 0.607 . . . . 64.01 112.638 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm 70.51 -64.07 0.38 Allowed 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.961 1.304 . . . . 74.32 112.184 -175.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.422 ' HB1' ' HD3' ' A' ' 40' ' ' LYS . . . -70.83 133.12 46.23 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.396 0.678 . . . . 74.24 111.669 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -65.38 -29.3 69.99 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.141 0.576 . . . . 74.21 110.726 168.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.557 ' H ' ' HD2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -56.55 -56.34 22.48 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 124.89 1.276 . . . . 63.02 111.807 -176.801 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.22 -29.03 67.77 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.727 0.811 . . . . 73.34 110.888 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -64.4 -38.71 91.97 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-N 115.251 -0.886 . . . . 64.45 111.734 177.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -67.53 -34.27 76.74 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 122.792 0.437 . . . . 65.14 112.123 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -70.49 -43.28 70.04 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.804 0.442 . . . . 74.33 111.04 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.417 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -66.92 -53.13 28.64 Favored Glycine 0 CA--C 1.539 1.577 0 CA-C-N 116.56 -0.291 . . . . 63.41 113.315 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.701 HD11 HG21 ' A' ' 66' ' ' VAL . 54.9 tp -65.8 -32.02 73.31 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.964 0.906 . . . . 74.32 111.629 178.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.43 -31.62 79.36 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-N 115.62 -0.718 . . . . 74.52 111.954 174.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -74.98 -25.7 59.03 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.007 0.523 . . . . 72.1 111.357 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.595 HD23 HG11 ' A' ' 55' ' ' VAL . 6.0 mp -64.87 -29.61 70.57 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 122.764 0.426 . . . . 73.5 111.462 169.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.8 mt -75.57 -34.08 60.66 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.286 0.634 . . . . 70.42 111.179 170.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.55 ' HD3' ' HA ' ' B' ' 51' ' ' ARG . 21.9 tpt180 -56.97 -42.09 79.54 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.516 0.727 . . . . 72.12 110.76 167.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.438 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 50.7 mt-10 -83.84 -19.65 34.54 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.059 0.543 . . . . 75.34 111.463 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 66.17 15.28 10.03 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 125.52 1.528 . . . . 54.53 111.847 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HE2' ' CD1' ' A' ' 16' ' ' TRP . 40.9 mtpt -80.83 3.48 22.39 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.186 0.994 . . . . 74.21 112.914 -176.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.595 HG11 HD23 ' A' ' 49' ' ' LEU . 23.8 m -130.22 150.6 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 114.331 1.234 . . . . 52.03 114.331 177.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 t -100.69 124.86 54.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.147 0 C-N-CA 125.068 1.347 . . . . 64.32 109.396 166.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.9 p -106.4 146.3 30.65 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 123.302 0.641 . . . . 71.25 111.866 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -157.18 171.6 20.14 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 124.768 1.227 . . . . 44.21 110.063 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -118.12 122.48 43.19 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.114 0.566 . . . . 74.43 109.991 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 37.5 t -120.45 113.69 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 123.801 0.84 . . . . 62.12 109.96 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 53.43 41.21 32.14 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.528 1.531 . . . . 75.25 113.607 172.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.64 -0.12 84.6 Favored Glycine 0 CA--C 1.536 1.345 0 CA-C-N 115.484 -0.78 . . . . 72.04 115.0 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -117.57 155.4 29.87 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 117.693 0.747 . . . . 73.51 110.883 177.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.7 mt -75.72 109.36 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 123.609 0.764 . . . . 73.31 110.4 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -97.48 121.59 39.55 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.488 0.715 . . . . 74.33 109.449 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.701 HG21 HD11 ' A' ' 46' ' ' LEU . 7.3 p -137.31 144.41 31.82 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-O 121.437 0.637 . . . . 63.0 111.443 -177.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -140.3 176.9 8.39 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.915 0.886 . . . . 72.32 109.365 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.442 HD23 HG12 ' A' ' 55' ' ' VAL . 46.0 mt -85.77 156.93 20.4 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-O 121.325 0.583 . . . . 73.13 111.882 178.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.7 t -77.16 92.84 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 N-CA-C 108.556 -0.905 . . . . 73.42 108.556 168.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.645 ' H ' HD23 ' A' ' 70' ' ' LEU . 1.4 pt? -64.88 95.08 0.14 Allowed 'General case' 0 CA--C 1.56 1.363 0 CA-C-O 122.036 0.922 . . . . 63.54 112.105 -174.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -121.65 151.68 40.18 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.161 0.984 . . . . 75.54 109.961 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -75.44 12.17 1.06 Allowed 'General case' 0 CA--C 1.566 1.561 0 N-CA-C 114.632 1.345 . . . . 73.32 114.632 -173.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -79.6 115.8 19.43 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 118.308 0.504 . . . . 55.22 110.366 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -96.76 84.22 3.57 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-O 121.332 0.586 . . . . 73.43 109.445 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -152.72 125.37 8.32 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.188 -0.914 . . . . 73.34 109.574 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 65.22 91.22 0.08 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.846 1.258 . . . . 74.33 111.956 -172.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 121.894 0.854 . . . . 71.32 109.981 171.509 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.88 0 CA-C-O 121.1 0.476 . . . . 71.21 111.462 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.537 ' HD3' ' H ' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -122.94 91.85 3.58 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-O 122.508 1.147 . . . . 62.33 110.086 174.157 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.709 ' HB3' ' HG2' ' B' ' 6' ' ' GLU . 13.5 tpt -71.88 125.05 26.2 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.508 -0.769 . . . . 61.23 109.19 172.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.91 -17.44 56.71 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.178 0.591 . . . . 72.24 111.641 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -62.92 -48.2 79.95 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 124.039 0.936 . . . . 72.21 110.98 170.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.709 ' HG2' ' HB3' ' B' ' 3' ' ' MET . 11.9 mm-40 -69.99 -40.27 75.41 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.187 0.595 . . . . 61.43 110.675 -178.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -57.09 -49.96 74.24 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.163 0.985 . . . . 74.35 111.661 175.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.1 -37.23 66.58 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 115.067 -0.97 . . . . 44.31 111.212 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.15 -34.44 69.91 Favored Glycine 0 CA--C 1.538 1.506 0 CA-C-N 115.681 -0.691 . . . . 74.42 114.302 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.84 -47.27 72.5 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.387 0.675 . . . . 74.52 111.774 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 68.6 mt -67.74 -34.57 77.09 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.7 0.8 . . . . 73.1 111.202 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.439 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -58.49 -46.83 85.88 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.436 1.094 . . . . 30.14 113.411 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.64 -35.28 51.67 Favored Glycine 0 C--N 1.35 1.356 0 O-C-N 123.802 0.689 . . . . 64.12 113.578 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -70.3 -51.07 33.05 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.782 0.833 . . . . 74.52 111.343 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 62.1 mt -63.48 -40.39 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 123.727 0.811 . . . . 75.54 112.219 -174.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -58.9 -50.06 75.46 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.292 0.637 . . . . 71.55 110.552 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.11 -25.89 67.97 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.474 0.71 . . . . 75.21 112.472 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.95 -43.96 81.8 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.241 0.616 . . . . 62.15 111.077 172.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 80.2 mt -74.93 -20.76 59.56 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.604 0.762 . . . . 73.45 111.783 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -68.93 127.29 32.59 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.988 0.915 . . . . 72.43 110.811 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.14 3.72 84.76 Favored Glycine 0 CA--C 1.537 1.456 0 N-CA-C 114.028 0.371 . . . . 41.11 114.028 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 19.5 m -128.33 161.81 28.55 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.68 0.792 . . . . 53.32 110.461 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -79.52 23.09 0.42 Allowed 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 124.289 1.035 . . . . 63.41 112.266 176.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.34 150.31 23.71 Favored Glycine 0 C--N 1.348 1.198 0 C-N-CA 123.204 0.43 . . . . 55.5 112.604 -173.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.7 mt -123.3 155.18 37.75 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.537 0.735 . . . . 71.53 110.379 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 63.9 p -83.76 167.14 17.41 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.36 0.664 . . . . 74.23 109.633 170.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -57.55 -30.34 65.13 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 122.828 0.451 . . . . 71.45 111.662 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -61.14 -52.87 63.06 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.338 1.055 . . . . 62.42 111.816 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -70.47 -38.76 74.48 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.104 0.961 . . . . 73.02 112.323 -175.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 91.8 mt -61.08 -45.48 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 123.44 0.696 . . . . 73.44 110.911 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -55.89 -41.7 74.87 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 123.508 0.505 . . . . 74.15 112.353 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -70.98 -49.63 43.23 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 112.344 0.498 . . . . 70.34 112.344 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.12 -27.39 68.9 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.486 0.714 . . . . 71.45 112.697 -177.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 72.7 p -103.71 -20.07 14.09 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.975 0.91 . . . . 61.1 112.631 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 66.49 29.07 9.31 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.815 1.246 . . . . 71.44 112.289 -173.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt -75.32 127.72 33.79 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.866 0.467 . . . . 73.33 109.859 172.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -80.58 -27.78 37.34 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 113.344 0.868 . . . . 72.31 113.344 -169.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.96 158.13 43.43 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 121.435 0.636 . . . . 54.14 112.298 -173.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -60.96 -28.27 68.85 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 115.146 -0.934 . . . . 71.31 110.892 170.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -54.33 -45.96 72.79 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.71 1.204 . . . . 70.15 112.964 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -66.91 -36.61 82.66 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 121.652 0.739 . . . . 65.23 110.316 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -68.45 -44.51 74.71 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 114.452 -1.249 . . . . 72.11 112.352 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -66.22 -40.26 90.16 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 122.973 0.509 . . . . 74.53 112.373 -176.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mp -71.67 -43.24 66.37 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.961 0.505 . . . . 71.45 111.009 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLY . . . . . 0.418 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -63.75 -53.33 38.72 Favored Glycine 0 CA--C 1.539 1.542 0 CA-C-N 116.416 -0.357 . . . . 73.22 113.123 176.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.04 -34.92 74.05 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 124.272 1.029 . . . . 55.22 111.93 176.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.56 -31.47 79.9 Favored Glycine 0 N--CA 1.475 1.242 0 CA-C-N 115.894 -0.594 . . . . 63.55 112.552 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' TRP . . . . . 0.439 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 55.2 t-105 -74.49 -35.76 63.25 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.683 0.793 . . . . 65.22 111.423 174.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.653 HD23 HG11 ' B' ' 55' ' ' VAL . 7.4 mp -62.39 -34.57 76.97 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.258 0.623 . . . . 64.52 110.98 172.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 81.9 mt -74.94 -36.49 62.12 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.78 0.832 . . . . 72.2 111.052 174.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.55 ' HA ' ' HD3' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -67.37 -31.88 72.42 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.85 0.46 . . . . 73.22 110.804 -179.694 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -99.2 -2.26 37.2 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.901 0.48 . . . . 70.2 111.549 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 t70 64.32 18.32 11.24 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 124.921 1.288 . . . . 75.15 112.335 172.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -73.56 -11.92 60.6 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.038 0.935 . . . . 64.53 112.951 -175.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.653 HG11 HD23 ' B' ' 49' ' ' LEU . 33.4 m -130.86 159.72 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-O 121.547 0.689 . . . . 72.32 111.972 -178.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -119.38 133.35 66.47 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 124.785 1.234 . . . . 53.11 109.776 172.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 37.3 p -103.11 139.57 38.45 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.121 0.968 . . . . 71.32 111.631 -172.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 59.5 m -143.02 165.93 26.02 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.634 1.174 . . . . 75.54 109.488 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -121.7 120.51 34.89 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.289 -0.634 . . . . 74.44 109.289 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 38.7 t -103.75 107.1 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 108.898 -0.778 . . . . 62.43 108.898 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 49.57 39.71 17.75 Favored 'General case' 0 CA--C 1.563 1.462 0 C-N-CA 125.429 1.492 . . . . 73.33 113.229 173.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.79 10.2 53.13 Favored Glycine 0 CA--C 1.541 1.709 0 N-CA-C 116.135 1.214 . . . . 53.01 116.135 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -132.83 160.47 36.83 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 119.374 1.587 . . . . 71.21 112.735 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 65.1 mt -73.64 110.92 7.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 124.29 1.036 . . . . 73.13 111.092 -176.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -117.33 116.85 28.03 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.088 0.955 . . . . 74.01 109.598 176.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 33.3 t -122.35 148.86 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 123.005 0.522 . . . . 73.24 110.88 -175.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.8 157.16 43.94 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.29 0.636 . . . . 72.13 109.786 175.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.545 HD23 HG12 ' B' ' 55' ' ' VAL . 63.7 mt -67.73 155.19 39.83 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.488 0.315 . . . . 72.43 111.116 177.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.7 t -80.73 81.04 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 CA-C-O 121.389 0.614 . . . . 71.23 109.778 173.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 mp -75.1 -46.07 37.03 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 108.962 -0.755 . . . . 64.42 108.962 169.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 65.84 104.84 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.602 1.561 . . . . 73.43 112.763 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -154.87 14.31 0.41 Allowed 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 124.047 0.939 . . . . 75.41 109.267 172.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -114.15 -7.96 13.01 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.737 0.815 . . . . 74.24 112.248 -170.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -52.03 94.3 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 113.658 0.985 . . . . 74.32 113.658 -171.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -148.41 170.55 17.75 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.693 1.197 . . . . 73.1 110.133 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -73.32 96.03 2.25 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.396 0.678 . . . . 62.45 110.385 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 32.5 p80 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 121.507 0.67 . . . . 72.43 111.981 179.058 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 mmt . . . . . 0 N--CA 1.496 1.861 0 N-CA-C 112.244 0.461 . . . . 71.13 112.244 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm 66.85 13.36 9.39 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 125.057 1.343 . . . . 71.01 113.855 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 85.0 mtp -58.96 150.31 24.83 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 122.957 0.503 . . . . 65.15 111.898 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 tt -49.77 -41.05 43.3 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 124.229 1.012 . . . . 74.02 112.352 -173.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -69.22 -48.92 60.62 Favored 'General case' 0 CA--C 1.56 1.339 0 C-N-CA 123.392 0.677 . . . . 72.32 111.783 -177.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.93 -38.63 69.82 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 122.862 0.465 . . . . 71.23 112.003 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -32.02 64.13 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 122.753 0.421 . . . . 64.33 110.891 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.03 97.61 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.142 0.577 . . . . 74.44 111.154 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.27 -42.98 93.83 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-N 115.512 -0.767 . . . . 41.41 113.586 174.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.73 91.43 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.415 0.686 . . . . 72.45 112.359 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.8 mt -70.16 -27.65 64.71 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.806 0.842 . . . . 61.35 112.074 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.401 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -58.06 -42.43 85.46 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 113.33 0.863 . . . . 64.13 113.33 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.38 -53.21 36.21 Favored Glycine 0 CA--C 1.538 1.495 0 O-C-N 123.85 0.719 . . . . 72.32 114.875 -176.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -69.27 -36.33 77.0 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.496 0.718 . . . . 65.22 112.493 -176.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.575 HG23 HG21 ' A' ' 30' ' ' ILE . 68.6 mt -65.19 -44.56 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 123.08 0.552 . . . . 75.33 110.423 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -59.49 -45.47 91.61 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-N 115.315 -0.857 . . . . 70.11 111.239 175.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.03 -25.93 65.63 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.735 0.814 . . . . 60.22 112.757 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.6 -30.37 68.11 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 122.998 0.519 . . . . 61.21 111.2 172.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.562 HD21 HD11 ' A' ' 30' ' ' ILE . 87.8 mt -88.1 -20.67 25.38 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.819 0.848 . . . . 70.34 112.003 176.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -70.57 123.38 21.7 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.841 0.456 . . . . 73.23 111.257 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.4 -15.42 63.3 Favored Glycine 0 CA--C 1.54 1.619 0 CA-C-N 115.929 -0.578 . . . . 54.53 114.131 -176.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.9 p -106.69 171.04 7.58 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.716 0.806 . . . . 72.12 111.335 -177.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -89.24 2.99 53.48 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 122.892 0.477 . . . . 74.25 111.952 175.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.535 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 113.28 144.53 9.01 Favored Glycine 0 C--N 1.349 1.305 0 N-CA-C 114.085 0.394 . . . . 64.22 114.085 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.569 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 2.7 mm? -126.92 166.54 17.32 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.329 1.052 . . . . 74.01 109.757 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.1 p -87.35 170.07 11.73 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 110.201 -0.296 . . . . 74.15 110.201 169.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -55.14 -37.25 66.7 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.014 0.526 . . . . 75.15 112.042 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -61.38 -44.38 97.26 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.84 1.256 . . . . 64.54 112.109 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.569 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 11.1 mm-40 -74.12 -39.52 63.29 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 115.509 -0.768 . . . . 61.21 111.101 -177.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.575 HG21 HG23 ' A' ' 15' ' ' ILE . 79.0 mt -65.2 -42.18 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 123.481 0.713 . . . . 65.51 111.79 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -54.04 -32.89 55.84 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 123.367 0.667 . . . . 72.5 112.307 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -70.81 -49.94 40.97 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.192 0.597 . . . . 61.12 111.234 174.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.79 76.54 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.041 0.936 . . . . 52.34 112.787 -175.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.6 p -101.68 -10.49 19.96 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.442 1.097 . . . . 45.14 112.447 -177.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt 68.95 25.35 6.04 Favored 'General case' 0 CA--C 1.571 1.75 0 C-N-CA 124.312 1.045 . . . . 72.23 111.468 176.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 68.5 mt -78.47 93.29 4.74 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.019 -0.537 . . . . 50.24 110.401 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -34.98 72.68 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.439 1.096 . . . . 62.12 112.261 -178.165 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -104.51 141.07 37.04 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.879 0.871 . . . . 53.42 110.419 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.56 -25.01 63.79 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.379 0.672 . . . . 73.32 110.381 172.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -53.02 -35.85 59.87 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.662 1.185 . . . . 71.4 112.596 169.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -67.59 -41.17 84.53 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-O 121.327 0.584 . . . . 72.13 110.236 174.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -71.2 -46.35 61.45 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.298 -0.864 . . . . 75.24 112.19 -174.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.95 -43.7 98.29 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 112.408 0.521 . . . . 70.33 112.408 -172.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 mp -73.59 -36.79 65.58 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.394 0.677 . . . . 74.4 111.047 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.431 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -65.1 -46.39 88.6 Favored Glycine 0 CA--C 1.54 1.647 0 CA-C-N 116.701 -0.227 . . . . 64.21 112.656 172.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.7 tp -63.57 -33.82 76.44 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 124.802 1.241 . . . . 74.14 111.302 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.12 -31.53 81.03 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-N 115.344 -0.843 . . . . 52.43 112.319 176.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.447 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 15.5 t-105 -75.81 -34.03 60.14 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 123.398 0.679 . . . . 73.02 110.894 175.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.551 ' HA ' ' HD3' ' A' ' 54' ' ' LYS . 8.4 mp -62.12 -38.92 90.77 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.338 0.655 . . . . 75.1 111.837 172.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -75.9 -34.21 59.93 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.067 0.547 . . . . 72.11 110.992 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.525 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -63.59 -34.45 77.84 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.43 0.692 . . . . 70.33 112.276 -177.847 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.525 ' HG3' ' HG3' ' A' ' 51' ' ' ARG . 67.5 mt-10 -103.14 6.96 38.74 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 112.704 0.631 . . . . 71.32 112.704 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 63.1 28.46 16.08 Favored 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 124.046 0.938 . . . . 64.23 112.521 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.551 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 21.1 mtpp -71.51 -27.81 63.47 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.118 0.967 . . . . 71.32 111.033 -176.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.569 HG12 HD23 ' A' ' 68' ' ' LEU . 32.1 m -137.55 175.25 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 123.704 0.802 . . . . 73.41 111.789 -171.293 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -133.1 136.23 55.58 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 C-N-CA 124.621 1.168 . . . . 74.12 109.43 171.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.0 p -112.14 151.73 29.14 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.585 0.754 . . . . 74.12 111.189 -174.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.5 t -150.12 170.17 19.56 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.494 1.118 . . . . 64.41 109.91 -176.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -110.87 107.57 17.09 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.054 0.541 . . . . 71.13 110.301 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.576 HG12 ' HG2' ' A' ' 61' ' ' GLU . 54.4 t -110.92 117.17 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 123.732 0.813 . . . . 62.13 109.365 174.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.576 ' HG2' HG12 ' A' ' 60' ' ' VAL . 7.2 pt-20 46.86 43.54 13.46 Favored 'General case' 0 N--CA 1.5 2.034 0 C-N-CA 125.326 1.451 . . . . 70.42 113.937 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 73.94 15.85 79.59 Favored Glycine 0 CA--C 1.538 1.473 0 N-CA-C 114.606 0.602 . . . . 64.21 114.606 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -126.82 152.95 46.27 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.678 0.791 . . . . 74.41 110.501 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.7 mt -74.54 113.19 12.74 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 C-N-CA 123.083 0.553 . . . . 72.33 110.996 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -98.33 139.65 33.78 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.049 0.939 . . . . 72.42 109.091 169.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.5 p -140.85 147.17 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 122.593 0.357 . . . . 55.11 111.834 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.535 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 22.8 pttp -152.52 154.04 34.66 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.382 0.673 . . . . 72.4 110.141 175.03 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.569 HD23 HG12 ' A' ' 55' ' ' VAL . 38.7 mt -64.15 149.13 48.4 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 112.088 0.403 . . . . 60.04 112.088 -178.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.1 t -76.41 90.86 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 N-CA-C 109.159 -0.682 . . . . 74.02 109.159 170.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 pp -78.06 150.42 33.79 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 116.176 -0.466 . . . . 71.54 110.345 174.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -70.29 154.0 42.41 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 121.362 0.601 . . . . 54.21 111.967 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -149.15 164.86 33.5 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.368 1.067 . . . . 63.14 110.166 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -62.2 -31.45 71.98 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 113.584 0.957 . . . . 72.13 113.584 -169.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -151.12 120.38 6.8 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 122.834 0.454 . . . . 74.51 110.678 174.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -86.86 125.95 34.33 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 122.846 0.459 . . . . 74.23 111.007 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -77.93 99.94 6.21 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 121.344 0.593 . . . . 71.45 111.183 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 21.9 p80 . . . . . 0 N--CA 1.479 0.979 0 C-N-CA 124.047 0.939 . . . . 53.32 111.191 179.792 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 CA--C 1.55 0.962 0 CA-C-O 120.832 0.348 . . . . 65.31 111.132 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -82.79 154.51 24.69 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.664 0.785 . . . . 72.23 112.013 -175.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 30.9 mmt -81.19 167.48 19.58 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.025 0.93 . . . . 74.13 112.484 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.58 HD22 ' HD2' ' B' ' 7' ' ' LYS . 2.6 tm? -57.19 -35.85 70.12 Favored 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 124.931 1.292 . . . . 73.3 111.741 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.438 ' HG3' ' HZ3' ' B' ' 48' ' ' TRP . 38.6 ttmt -65.64 -39.81 91.82 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.078 0.551 . . . . 73.42 112.122 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.2 -41.12 77.53 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.381 0.673 . . . . 65.03 112.201 -174.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.58 ' HD2' HD22 ' B' ' 4' ' ' LEU . 0.0 OUTLIER -73.44 -27.07 61.23 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 122.515 0.326 . . . . 72.41 111.844 175.147 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.51 -38.57 91.49 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.127 0.571 . . . . 54.22 111.35 174.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.54 -32.72 84.2 Favored Glycine 0 CA--C 1.539 1.551 0 CA-C-N 115.724 -0.671 . . . . 70.43 113.874 174.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.05 -45.13 71.16 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.028 0.531 . . . . 71.14 111.508 174.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.39 -33.47 73.72 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.811 0.844 . . . . 64.31 111.48 176.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.09 -43.58 74.09 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.585 0.754 . . . . 63.42 112.191 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.46 -50.98 61.9 Favored Glycine 0 CA--C 1.533 1.206 0 CA-C-N 115.455 -0.793 . . . . 43.01 113.893 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -69.88 -33.7 72.57 Favored 'General case' 0 CA--C 1.557 1.232 0 N-CA-C 112.406 0.521 . . . . 73.42 112.406 -176.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.634 HG23 HG21 ' B' ' 30' ' ' ILE . 90.5 mt -67.79 -43.84 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 123.493 0.717 . . . . 63.15 111.047 177.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' TRP . . . . . 0.44 ' HE1' ' HG2' ' B' ' 54' ' ' LYS . 73.1 t90 -61.68 -43.42 98.89 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.266 0.627 . . . . 73.25 110.948 174.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -63.43 -37.79 88.63 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 123.952 0.901 . . . . 73.35 110.28 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.31 84.8 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.792 0.837 . . . . 74.5 111.607 175.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.546 HD21 HD11 ' B' ' 30' ' ' ILE . 85.3 mt -76.45 -24.75 53.92 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.883 0.873 . . . . 75.02 112.471 177.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -72.02 133.3 45.21 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 122.527 0.331 . . . . 71.52 110.623 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.77 -1.28 78.11 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 115.974 -0.557 . . . . 43.22 114.303 -176.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 32.8 p -122.32 169.53 10.84 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.52 0.728 . . . . 55.51 110.302 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -82.33 3.71 26.73 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.156 0.582 . . . . 73.5 111.513 173.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.13 153.26 8.34 Favored Glycine 0 C--N 1.348 1.199 0 C-N-CA 123.664 0.65 . . . . 71.14 112.107 -174.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.575 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 80.8 mt -134.62 154.39 51.52 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.944 0.897 . . . . 71.13 109.979 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 69.0 p -77.69 167.44 21.57 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.495 0.318 . . . . 64.43 110.269 171.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -57.47 -35.03 69.64 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 122.858 0.463 . . . . 72.31 112.179 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -67.79 -42.53 81.48 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.995 0.918 . . . . 62.42 111.591 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.575 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 15.2 mm-40 -67.89 -37.0 81.21 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 120.801 0.334 . . . . 71.2 111.694 -178.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.634 HG21 HG23 ' B' ' 15' ' ' ILE . 60.8 mt -69.2 -42.61 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.184 0.594 . . . . 75.24 110.569 173.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -52.24 -45.88 65.5 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 125.133 1.373 . . . . 62.25 111.111 176.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -67.98 -46.65 70.75 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 114.295 -1.32 . . . . 41.1 111.369 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.58 -29.21 67.69 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.894 0.701 . . . . 74.02 112.894 -176.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 76.8 p -94.1 -15.98 24.21 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.791 0.836 . . . . 64.22 111.712 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt 65.22 27.96 12.13 Favored 'General case' 0 CA--C 1.568 1.662 0 C-N-CA 124.71 1.204 . . . . 73.23 111.705 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -71.61 137.09 47.69 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 115.613 -0.721 . . . . 75.4 110.701 177.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -82.61 -50.21 9.01 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.592 0.757 . . . . 60.23 110.935 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.81 134.73 40.57 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.506 0.722 . . . . 72.15 110.866 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.11 -23.78 67.24 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 124.165 0.986 . . . . 74.41 111.654 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.411 ' O ' HD13 ' B' ' 44' ' ' LEU . 31.3 mmtp -61.67 -35.16 77.19 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.088 0.955 . . . . 74.13 111.709 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.59 -37.51 87.82 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.1 0.56 . . . . 71.31 110.976 173.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -64.75 -45.29 87.08 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 115.819 -0.628 . . . . 54.53 111.47 173.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -65.03 -37.15 86.66 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 122.729 0.412 . . . . 73.23 111.824 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.411 HD13 ' O ' ' B' ' 40' ' ' LYS . 2.5 mp -67.5 -45.97 74.3 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.337 1.055 . . . . 75.24 111.295 177.304 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLY . . . . . 0.481 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -68.08 -44.43 77.22 Favored Glycine 0 CA--C 1.537 1.468 0 CA-C-N 116.116 -0.493 . . . . 55.55 113.109 178.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 63.8 tp -64.49 -31.85 73.24 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.935 0.894 . . . . 75.32 111.219 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.87 -31.38 78.15 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-N 115.761 -0.654 . . . . 73.34 112.451 175.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' TRP . . . . . 0.472 ' O ' ' HG2' ' B' ' 52' ' ' GLU . 8.1 t-105 -75.53 -30.92 59.92 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.587 0.755 . . . . 54.43 111.079 175.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.573 HD23 HG11 ' B' ' 55' ' ' VAL . 6.4 mp -68.71 -33.37 73.83 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 123.125 0.57 . . . . 63.2 111.377 173.402 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 94.3 mt -71.72 -35.71 70.26 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.819 0.847 . . . . 73.3 110.845 171.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.45 ' HB2' ' HB2' ' A' ' 51' ' ' ARG . 19.8 ttt85 -56.64 -48.21 78.03 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.224 1.009 . . . . 74.4 111.643 172.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' B' ' 48' ' ' TRP . 25.5 mm-40 -78.37 -17.71 56.1 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.196 -0.456 . . . . 74.2 111.708 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.15 28.32 17.88 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 124.223 1.009 . . . . 71.35 110.586 -171.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.44 ' HG2' ' HE1' ' B' ' 16' ' ' TRP . 33.0 ttpt -88.56 -5.92 57.88 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 114.692 -1.14 . . . . 75.15 111.44 -173.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.573 HG11 HD23 ' B' ' 49' ' ' LEU . 29.0 m -133.51 162.71 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 CA-C-O 121.527 0.68 . . . . 73.4 112.279 175.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 37.6 t -106.94 126.79 62.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 125.609 1.564 . . . . 75.5 109.823 170.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 21.5 p -104.23 136.56 43.61 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 121.432 0.634 . . . . 43.2 111.404 176.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 47.3 t -147.23 170.64 16.83 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.145 1.378 . . . . 74.13 109.127 -175.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -120.06 122.24 40.64 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.96 -0.462 . . . . 75.13 111.828 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.39 107.79 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 123.699 0.8 . . . . 60.23 109.622 168.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 55.17 39.11 31.34 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.049 1.34 . . . . 71.21 113.451 173.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.32 -26.36 15.88 Favored Glycine 0 CA--C 1.54 1.609 0 N-CA-C 114.389 0.516 . . . . 52.15 114.389 -176.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -81.54 149.15 28.8 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.293 0.637 . . . . 74.35 112.01 177.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 74.2 mt -77.97 105.71 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.391 0.676 . . . . 55.44 110.501 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -95.1 117.21 29.81 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.273 0.629 . . . . 74.41 109.984 173.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.43 147.08 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.101 0.56 . . . . 74.42 110.032 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -145.18 152.16 39.57 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.232 0.613 . . . . 65.0 109.504 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 66.5 mt -72.36 145.78 47.52 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 112.534 0.568 . . . . 75.35 112.534 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 77.0 t -68.27 135.04 29.23 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 N-CA-C 109.035 -0.728 . . . . 73.0 109.035 165.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 74.5 mt -58.31 108.15 0.58 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.205 0.602 . . . . 72.32 111.513 -172.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -0.59 52.45 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 124.025 0.93 . . . . 74.23 112.639 -176.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -59.17 91.11 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.443 1.097 . . . . 75.43 111.814 -175.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 62.54 37.51 13.14 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.774 1.229 . . . . 73.22 111.938 -175.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -113.96 13.41 18.27 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.968 0.907 . . . . 63.1 111.061 173.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -78.36 86.39 4.44 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.06 0.544 . . . . 70.05 110.561 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 46.4 t60 -143.23 89.5 2.1 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.849 0.859 . . . . 51.41 109.192 176.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 26.1 t60 . . . . . 0 N--CA 1.479 1.017 0 C-N-CA 123.457 0.703 . . . . 74.33 110.135 -178.739 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 110.368 -0.234 . . . . 72.54 110.368 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.8 mttm 63.22 84.78 0.14 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.255 1.422 . . . . 75.52 112.167 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 52.0 ttm -154.69 152.91 30.5 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.69 0.796 . . . . 54.15 110.31 179.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.03 -17.43 62.22 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 113.571 0.952 . . . . 73.12 113.571 178.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 5' ' ' LYS . 43.1 mtpt -64.12 -47.39 80.16 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.388 0.675 . . . . 71.51 111.165 169.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -73.52 -29.67 62.62 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.296 1.038 . . . . 63.31 111.08 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -67.02 -43.72 82.14 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 123.591 0.756 . . . . 65.21 109.909 170.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.29 -31.32 71.89 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.533 0.733 . . . . 73.51 111.311 171.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.19 -32.11 65.81 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-N 115.792 -0.64 . . . . 43.01 113.427 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.1 -37.27 69.56 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.271 0.628 . . . . 54.31 110.666 174.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.81 -36.51 82.55 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.529 0.732 . . . . 44.35 110.446 171.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.403 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -58.76 -48.2 82.02 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.063 0.945 . . . . 64.1 112.848 178.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.42 -53.97 32.35 Favored Glycine 0 CA--C 1.537 1.453 0 O-C-N 123.871 0.732 . . . . 71.34 113.966 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -64.76 -32.98 74.91 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 112.383 0.512 . . . . 75.01 112.383 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.7 mt -70.3 -39.35 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 C-N-CA 122.853 0.461 . . . . 75.44 111.16 178.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -60.87 -52.36 65.39 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.936 0.494 . . . . 71.44 111.099 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.32 -31.91 66.15 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 122.84 0.456 . . . . 74.45 112.187 175.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.84 -41.13 87.94 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.198 0.599 . . . . 65.23 111.526 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.557 HD21 HD11 ' A' ' 30' ' ' ILE . 96.1 mt -79.82 -18.0 51.92 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.631 0.772 . . . . 54.21 112.467 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -74.7 136.75 41.82 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.278 0.631 . . . . 73.05 110.543 175.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.4 -44.78 3.39 Favored Glycine 0 CA--C 1.541 1.674 0 C-N-CA 122.661 0.172 . . . . 72.1 113.522 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.6 p -75.27 161.85 28.96 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.071 0.549 . . . . 62.23 111.61 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -67.38 -10.17 48.58 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 123.732 0.813 . . . . 61.1 112.698 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 117.95 142.19 7.0 Favored Glycine 0 C--N 1.343 0.971 0 N-CA-C 111.07 -0.812 . . . . 71.54 111.07 -170.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.429 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 94.2 mt -128.03 154.43 45.66 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 117.481 0.64 . . . . 72.3 110.836 -172.404 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.2 p -86.3 170.73 11.8 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.494 0.718 . . . . 74.5 110.508 173.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -27.8 66.99 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 118.345 0.521 . . . . 53.54 111.992 179.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -69.69 -44.13 71.05 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 124.495 1.118 . . . . 71.43 111.94 174.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 93.9 mt-30 -76.31 -39.38 54.25 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.487 0.715 . . . . 64.12 111.91 -176.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.557 HD11 HD21 ' A' ' 19' ' ' LEU . 85.2 mt -64.86 -33.39 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 124.02 0.928 . . . . 74.04 110.951 173.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HE3' ' HB3' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -52.47 -47.2 66.65 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.826 0.85 . . . . 75.14 110.593 175.071 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -69.41 -46.46 66.78 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 115.126 -0.943 . . . . 62.0 112.228 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.54 -42.88 99.81 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.686 0.794 . . . . 71.2 113.038 -174.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.9 p -87.73 -7.51 57.27 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.063 0.945 . . . . 72.04 112.943 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp 67.51 51.33 0.86 Allowed 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 124.668 1.187 . . . . 65.45 112.289 176.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -133.18 173.22 11.67 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.461 0.704 . . . . 62.21 110.875 174.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -124.18 -30.88 3.4 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.465 0.706 . . . . 72.11 110.877 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.83 108.94 19.4 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.365 0.666 . . . . 71.04 111.549 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' HB3' ' HE3' ' A' ' 31' ' ' LYS . 2.4 p-10 -59.16 -24.43 63.03 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 124.245 1.018 . . . . 53.12 112.159 169.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -51.95 -42.81 63.16 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.268 1.027 . . . . 65.53 112.02 174.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.52 -36.53 71.08 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.783 0.833 . . . . 44.34 111.134 176.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.418 ' CZ ' HD22 ' A' ' 46' ' ' LEU . 40.3 t80 -59.11 -39.13 81.34 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.724 0.81 . . . . 72.35 112.116 176.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -66.84 -36.21 81.82 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 122.71 0.404 . . . . 71.0 111.892 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.33 -44.43 91.54 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.641 0.777 . . . . 52.34 111.249 173.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.432 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -69.12 -49.51 39.98 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-N 116.043 -0.526 . . . . 74.41 113.779 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.732 HD11 HG21 ' A' ' 66' ' ' VAL . 50.7 tp -64.89 -34.12 77.63 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.65 0.78 . . . . 75.51 111.311 -178.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.11 -31.02 79.3 Favored Glycine 0 N--CA 1.472 1.077 0 CA-C-N 115.527 -0.761 . . . . 71.22 112.202 175.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.403 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 10.7 t-105 -77.17 -30.29 54.85 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 123.145 0.578 . . . . 62.53 111.161 175.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.639 HD23 HG11 ' A' ' 55' ' ' VAL . 6.6 mp -64.59 -37.34 87.22 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.041 0.536 . . . . 71.42 110.844 171.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.8 mt -66.56 -44.87 81.14 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 122.96 0.504 . . . . 63.34 111.605 177.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.461 ' HB2' ' HB2' ' B' ' 51' ' ' ARG . 0.1 OUTLIER -65.62 -22.96 66.71 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 113.983 1.105 . . . . 71.42 113.983 -175.195 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -101.07 -3.43 29.29 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 117.928 0.331 . . . . 64.04 111.817 173.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.6 t70 62.32 45.83 6.4 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.546 1.138 . . . . 73.34 110.31 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -84.31 -26.06 28.81 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 114.902 -1.045 . . . . 73.15 111.13 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.639 HG11 HD23 ' A' ' 49' ' ' LEU . 29.4 m -133.46 158.51 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 113.165 0.802 . . . . 75.05 113.165 -171.079 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -120.7 136.1 58.79 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 124.357 1.063 . . . . 72.23 110.563 170.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.9 p -102.57 134.41 45.97 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.977 0.911 . . . . 73.2 110.627 -178.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.1 m -121.41 139.7 53.11 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.78 1.232 . . . . 75.54 109.499 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -98.07 104.14 16.15 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.13 0.572 . . . . 71.03 110.613 -175.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.6 t -116.43 107.37 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 123.085 0.554 . . . . 61.53 109.886 174.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.461 ' H ' ' HB3' ' A' ' 77' ' ' HIS . 18.3 mt-10 51.21 36.98 17.21 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 125.144 1.378 . . . . 62.5 113.571 174.135 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.95 -23.81 15.81 Favored Glycine 0 CA--C 1.541 1.675 0 N-CA-C 114.782 0.673 . . . . 41.22 114.782 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -70.11 137.11 50.86 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.705 0.802 . . . . 62.1 111.973 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 59.8 mt -75.64 94.56 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 N-CA-C 109.396 -0.594 . . . . 75.14 109.396 173.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -98.61 101.86 13.42 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 108.516 -0.92 . . . . 73.21 108.516 173.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.732 HG21 HD11 ' A' ' 46' ' ' LEU . 7.4 p -116.6 151.83 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 122.934 0.494 . . . . 74.34 110.531 -176.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.408 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 63.6 pttt -151.66 177.89 9.91 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.939 0.896 . . . . 53.41 108.943 177.116 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.7 mt -69.07 166.92 17.11 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.097 0.408 . . . . 64.23 111.603 175.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 82.0 t -56.63 -29.55 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 C-N-CA 123.043 0.537 . . . . 74.51 111.125 171.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.4 mt -52.35 98.67 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.306 1.042 . . . . 64.14 110.637 172.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -70.69 114.21 8.54 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.85 -0.614 . . . . 51.54 111.723 -172.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -150.55 103.94 3.17 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 115.352 -0.84 . . . . 74.44 109.031 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 30.5 m170 62.01 85.38 0.12 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 125.067 1.347 . . . . 71.13 112.56 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -83.76 128.97 34.93 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.217 0.607 . . . . 72.45 109.735 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -126.99 151.96 47.86 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.308 0.643 . . . . 75.32 111.322 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -154.47 158.04 39.32 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.592 0.757 . . . . 62.14 110.746 172.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.461 ' HB3' ' H ' ' A' ' 61' ' ' GLU . 57.1 t-80 . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 121.75 0.786 . . . . 71.23 109.875 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 36.0 mmt . . . . . 0 CA--C 1.554 1.12 0 CA-C-O 120.585 0.231 . . . . 75.14 111.527 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt 61.0 39.0 16.96 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.374 1.07 . . . . 74.04 113.046 176.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 50.2 ttm -63.6 165.89 7.54 Favored 'General case' 0 CA--C 1.564 1.482 0 C-N-CA 123.872 0.869 . . . . 75.15 111.119 173.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.418 ' H ' HD12 ' B' ' 4' ' ' LEU . 6.3 mp -53.41 -29.94 37.63 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.509 0.723 . . . . 72.12 111.825 176.048 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -68.78 -51.22 43.38 Favored 'General case' 0 CA--C 1.559 1.29 0 C-N-CA 124.161 0.984 . . . . 74.24 111.734 174.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.02 -48.69 80.67 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.651 0.78 . . . . 64.3 112.274 -175.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -67.17 -29.8 69.59 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 112.824 0.676 . . . . 73.5 112.824 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -24.56 63.46 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.664 0.785 . . . . 71.44 112.143 173.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.37 -31.32 80.48 Favored Glycine 0 CA--C 1.543 1.796 0 CA-C-N 115.569 -0.741 . . . . 63.32 113.848 172.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.25 89.96 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.11 0.564 . . . . 74.5 111.472 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.67 -38.78 90.25 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 115.768 -0.651 . . . . 74.32 110.502 174.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.72 -48.4 81.27 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.903 0.881 . . . . 63.44 112.822 176.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.68 -52.97 44.78 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.308 -0.86 . . . . 33.24 113.9 -177.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -66.97 -34.51 77.91 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.525 0.73 . . . . 60.01 112.815 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.653 HD12 ' HA3' ' B' ' 45' ' ' GLY . 69.2 mt -64.9 -43.92 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 C-N-CA 122.877 0.471 . . . . 51.15 111.079 176.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -59.64 -42.68 93.3 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.44 0.696 . . . . 74.44 110.83 174.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -66.64 -30.23 70.45 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.929 0.891 . . . . 63.41 112.359 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.32 -34.26 74.38 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.192 0.597 . . . . 73.21 111.185 173.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.604 HD21 HD11 ' B' ' 30' ' ' ILE . 91.9 mt -79.34 -26.74 42.06 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.111 0.965 . . . . 73.45 112.697 176.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -65.11 125.68 25.71 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.992 0.517 . . . . 73.21 112.106 -172.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.12 -35.52 4.07 Favored Glycine 0 CA--C 1.537 1.423 0 CA-C-N 116.087 -0.506 . . . . 74.12 113.641 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 60.6 p -84.42 167.51 16.39 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.16 0.584 . . . . 61.32 111.909 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -86.28 34.36 0.63 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.031 0.933 . . . . 64.42 111.547 173.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.518 ' HA3' ' HG2' ' B' ' 67' ' ' LYS . . . 88.12 157.63 32.25 Favored Glycine 0 C--N 1.346 1.109 0 CA-C-N 116.065 -0.516 . . . . 74.51 113.754 175.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.468 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 98.3 mt -136.63 156.17 48.91 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.216 1.007 . . . . 72.11 110.108 -176.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 43.5 p -75.72 171.21 14.74 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.124 0.57 . . . . 75.1 110.928 172.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -55.38 -40.15 70.98 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.772 0.429 . . . . 61.24 110.954 172.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -60.77 -53.18 60.54 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 124.018 0.927 . . . . 71.33 111.945 176.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.468 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 87.1 mm-40 -66.05 -37.29 85.46 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.826 0.85 . . . . 75.54 112.375 -175.306 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.604 HD11 HD21 ' B' ' 19' ' ' LEU . 91.7 mt -67.12 -45.38 86.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.276 0.63 . . . . 44.42 110.765 174.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.489 ' HG2' ' HB2' ' B' ' 36' ' ' LEU . 24.4 mtpp -61.51 -26.62 68.04 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.811 0.444 . . . . 52.43 111.975 176.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -71.25 -54.1 12.07 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.699 0.4 . . . . 73.42 111.452 171.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.12 -34.29 78.04 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 112.991 0.737 . . . . 74.4 112.991 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.46 ' OG1' ' HG ' ' B' ' 36' ' ' LEU . 69.1 p -99.72 -13.29 19.37 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 123.943 0.897 . . . . 63.2 112.227 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . 0.257 14.6 ptmm? 53.31 49.1 20.53 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 125.92 1.688 . . . . 74.33 112.99 -178.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.56 HD22 ' HB3' ' B' ' 41' ' ' ASP . 98.0 mt -64.46 143.81 57.64 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 114.763 -1.108 . . . . 64.43 111.526 174.175 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -73.06 -56.59 4.92 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.365 0.666 . . . . 53.3 112.278 -175.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.76 173.39 7.24 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.834 0.826 . . . . 73.53 112.575 -173.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -58.47 -38.77 78.26 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 125.331 1.452 . . . . 64.23 111.337 174.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.463 ' HA ' ' HD2' ' B' ' 43' ' ' PHE . 35.6 mmtp -68.33 -33.96 75.25 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.484 1.114 . . . . 65.11 112.86 -175.075 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.56 ' HB3' HD22 ' B' ' 36' ' ' LEU . 1.2 m-20 -52.34 -35.22 50.41 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 124.745 1.218 . . . . 74.12 111.789 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -71.88 -42.09 67.21 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.083 -0.962 . . . . 72.21 112.182 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.463 ' HD2' ' HA ' ' B' ' 40' ' ' LYS . 54.8 m-85 -68.95 -34.1 74.79 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.09 0.556 . . . . 71.02 112.266 -176.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.95 -38.52 91.39 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.266 0.626 . . . . 73.34 111.005 173.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLY . . . . . 0.653 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -75.3 -60.5 3.26 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 115.763 -0.653 . . . . 74.22 113.579 178.104 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 47.0 tp -58.19 -35.14 71.18 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.242 1.017 . . . . 61.4 112.62 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.05 -31.29 80.38 Favored Glycine 0 N--CA 1.479 1.524 0 CA-C-O 121.477 0.487 . . . . 72.13 112.553 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' TRP . . . . . 0.543 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 13.7 t-105 -74.55 -34.69 63.01 Favored 'General case' 0 CA--C 1.564 1.511 0 C-N-CA 124.196 0.998 . . . . 74.14 110.838 174.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.606 HD23 HG11 ' B' ' 55' ' ' VAL . 5.9 mp -66.8 -35.01 79.08 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.18 0.592 . . . . 62.25 110.701 174.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 79.3 mt -71.63 -34.78 70.09 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.29 1.036 . . . . 73.31 111.958 173.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' B' ' 48' ' ' TRP . 5.0 ptt180 -60.39 -27.7 67.64 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 112.451 0.537 . . . . 75.22 112.451 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.463 ' HG3' ' HG3' ' B' ' 51' ' ' ARG . 32.5 mt-10 -112.38 -4.02 14.37 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.189 0.996 . . . . 72.34 111.878 177.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 p30 48.69 50.88 16.59 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 125.663 1.585 . . . . 71.11 113.177 -176.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -87.16 -6.09 58.76 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 114.64 -1.164 . . . . 65.15 110.796 172.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.606 HG11 HD23 ' B' ' 49' ' ' LEU . 26.9 m -130.0 159.5 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.297 1.039 . . . . 52.11 112.048 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 3.7 p -116.24 122.66 70.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-N 115.378 -0.828 . . . . 63.52 109.167 165.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 81.5 p -104.25 147.46 27.45 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.121 0.569 . . . . 70.3 111.229 -174.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 68.0 m -143.65 166.43 24.88 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.118 0.967 . . . . 75.22 110.138 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -118.46 121.97 41.61 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.479 0.712 . . . . 72.21 109.722 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -112.37 106.69 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.927 0.891 . . . . 64.51 109.106 174.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 47.2 50.71 14.01 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 125.5 1.52 . . . . 75.11 113.307 170.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.81 -27.1 10.42 Favored Glycine 0 CA--C 1.544 1.853 0 CA-C-N 115.462 -0.79 . . . . 74.44 114.887 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -91.7 154.85 18.7 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 117.641 0.72 . . . . 72.15 111.816 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 63.2 mt -88.34 122.62 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 123.311 0.644 . . . . 74.2 110.898 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -121.79 125.8 47.36 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.315 1.046 . . . . 74.14 108.84 173.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.6 m -129.52 154.52 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 122.752 0.421 . . . . 62.22 111.88 -173.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.518 ' HG2' ' HA3' ' B' ' 24' ' ' GLY . 48.2 mtpt -130.88 177.05 7.72 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.612 1.165 . . . . 72.52 109.579 174.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.494 HD23 HG12 ' B' ' 55' ' ' VAL . 68.0 mt -86.37 160.05 19.19 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.566 0.346 . . . . 72.11 110.383 166.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.11 119.57 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 N-CA-C 109.763 -0.458 . . . . 72.14 109.763 170.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 74.2 mt -87.91 66.72 8.82 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.552 0.741 . . . . 72.14 111.624 -171.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -68.13 -35.3 77.89 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.458 1.103 . . . . 74.21 111.635 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -68.71 -9.11 48.51 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.815 0.846 . . . . 75.14 113.063 176.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -117.51 145.35 44.28 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.371 0.669 . . . . 73.5 111.253 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -72.87 92.64 1.62 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.17 0.588 . . . . 75.42 110.217 177.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -92.08 172.86 8.15 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.576 0.75 . . . . 74.3 110.068 169.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -70.48 141.79 51.97 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 122.689 0.396 . . . . 75.01 111.453 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 . . . . . 0 N--CA 1.486 1.372 0 C-N-CA 123.931 0.892 . . . . 65.4 110.776 -178.676 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.3 mtm . . . . . 0 N--CA 1.487 1.407 0 N-CA-C 110.537 -0.172 . . . . 74.44 110.537 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -102.12 98.24 8.44 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-O 120.923 0.392 . . . . 70.42 110.438 177.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 56.5 mtm -67.93 163.43 22.11 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.043 0.537 . . . . 73.44 112.018 177.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.63 -27.37 67.63 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-O 121.157 0.503 . . . . 63.11 110.601 170.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -70.47 -38.47 74.44 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.822 0.849 . . . . 71.44 111.669 169.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -64.26 -51.32 64.15 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.417 0.687 . . . . 74.31 111.783 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -65.85 -32.44 73.96 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 116.596 -0.274 . . . . 74.55 111.358 177.485 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.455 ' N ' ' HD2' ' A' ' 7' ' ' LYS . . . -63.34 -37.95 89.25 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.11 0.564 . . . . 73.12 111.159 174.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.6 -32.68 71.18 Favored Glycine 0 CA--C 1.539 1.549 0 CA-C-N 115.714 -0.676 . . . . 64.52 113.357 173.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.11 -41.71 85.77 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.373 0.669 . . . . 61.14 111.479 177.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.461 HD13 ' HB3' ' A' ' 41' ' ' ASP . 63.0 mt -75.41 -31.49 60.42 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.599 0.76 . . . . 75.04 110.676 177.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.87 -55.16 37.95 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.927 0.891 . . . . 62.34 112.445 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.85 -31.75 47.18 Favored Glycine 0 CA--C 1.537 1.465 0 O-C-N 123.703 0.627 . . . . 62.04 114.374 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.89 -47.09 40.56 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.612 0.765 . . . . 72.0 111.692 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.415 HG12 HG21 ' A' ' 34' ' ' THR . 54.0 mt -64.57 -43.24 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 122.703 0.401 . . . . 62.21 110.706 177.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -54.07 -50.23 67.23 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.603 1.161 . . . . 64.31 111.223 175.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.21 -29.29 68.1 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 115.317 -0.856 . . . . 74.14 111.685 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.51 -35.92 78.16 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.178 0.591 . . . . 42.22 111.295 173.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.413 HD23 HD13 ' A' ' 25' ' ' LEU . 74.9 mt -81.48 -24.1 36.96 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.615 0.766 . . . . 70.34 111.774 176.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -63.58 118.97 8.95 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.552 0.741 . . . . 71.12 111.22 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.72 -35.07 5.17 Favored Glycine 0 CA--C 1.542 1.745 0 CA-C-N 115.951 -0.568 . . . . 72.42 113.262 -174.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.0 p -90.07 171.66 9.39 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 112.996 0.739 . . . . 53.13 112.996 -174.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -91.02 2.33 56.39 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.592 0.757 . . . . 72.44 111.966 173.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.47 147.71 7.37 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 114.45 0.54 . . . . 71.4 114.45 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.424 HD23 ' HB3' ' A' ' 29' ' ' GLN . 6.1 mp -124.9 159.23 31.62 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.135 0.974 . . . . 70.24 109.535 176.184 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.2 p -89.67 172.08 9.2 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.718 0.407 . . . . 73.51 110.367 172.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -52.14 -49.98 62.66 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 113.198 0.814 . . . . 74.54 113.198 -175.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -70.24 -29.8 66.7 Favored 'General case' 0 CA--C 1.56 1.339 0 N-CA-C 112.53 0.567 . . . . 71.21 112.53 -176.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.424 ' HB3' HD23 ' A' ' 25' ' ' LEU . 52.7 mt-30 -67.31 -44.55 78.89 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 120.938 0.399 . . . . 75.24 111.331 173.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -68.84 -33.0 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 123.24 0.616 . . . . 73.35 111.181 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -52.3 -42.98 64.24 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.528 0.731 . . . . 55.13 111.613 173.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -69.05 -47.63 64.88 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 122.862 0.465 . . . . 71.5 111.378 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.73 93.79 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 112.943 0.72 . . . . 63.13 112.943 -175.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.415 HG21 HG12 ' A' ' 15' ' ' ILE . 65.9 p -99.24 -13.33 19.74 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.973 0.909 . . . . 64.14 112.795 -174.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt 63.44 29.62 15.47 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.414 1.086 . . . . 74.1 112.781 174.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.444 HD21 HD22 ' A' ' 11' ' ' LEU . 92.2 mt -75.86 118.76 18.99 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.913 0.485 . . . . 63.23 110.523 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -69.89 -54.11 14.94 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.201 0.6 . . . . 71.1 111.82 -175.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.6 154.58 17.3 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.211 0.604 . . . . 64.23 111.25 -174.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -60.72 -38.03 83.72 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 124.639 1.176 . . . . 72.52 111.465 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -57.01 -50.49 72.56 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.21 1.404 . . . . 72.4 112.077 -175.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.461 ' HB3' HD13 ' A' ' 11' ' ' LEU . 7.9 m-20 -55.04 -37.29 66.51 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.402 1.081 . . . . 61.51 112.305 178.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -66.18 -45.35 81.14 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 123.512 0.725 . . . . 74.11 111.856 176.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -69.54 -38.94 77.69 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 112.612 0.597 . . . . 61.32 112.612 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 mp -71.72 -31.93 67.24 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.353 0.661 . . . . 61.33 110.914 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.98 -62.36 4.55 Favored Glycine 0 CA--C 1.535 1.313 0 CA-C-N 116.242 -0.435 . . . . 31.22 112.814 174.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.48 -24.64 63.8 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.778 0.431 . . . . 62.11 110.986 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.39 -30.68 75.52 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 116.362 -0.381 . . . . 72.24 112.389 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -75.85 -29.27 58.52 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-O 121.399 0.619 . . . . 74.13 110.367 172.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.573 HD23 HG11 ' A' ' 55' ' ' VAL . 6.5 mp -65.21 -35.81 82.22 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.091 0.556 . . . . 51.41 110.881 169.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.2 mt -73.47 -34.79 65.54 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.122 0.569 . . . . 65.4 110.776 173.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.574 ' HA ' ' HD2' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -59.77 -40.7 89.08 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 123.745 0.818 . . . . 74.33 112.698 -174.561 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -104.17 6.5 35.72 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.622 0.769 . . . . 61.51 112.17 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 61.0 38.47 17.33 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.079 0.952 . . . . 60.34 111.835 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -71.22 -25.1 62.35 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.575 1.15 . . . . 73.11 111.28 174.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.573 HG11 HD23 ' A' ' 49' ' ' LEU . 32.9 m -134.03 166.72 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-O 122.418 1.104 . . . . 73.22 113.298 -173.01 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.1 p -128.95 139.5 51.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 CA-C-N 113.182 -1.827 . . . . 72.55 109.292 169.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.689 HG22 HG12 ' A' ' 66' ' ' VAL . 75.4 p -100.96 171.22 7.78 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.278 0.631 . . . . 71.11 111.216 -172.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.471 ' HB3' ' HD2' ' A' ' 65' ' ' PHE . 38.7 t -163.21 165.24 24.61 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.207 1.003 . . . . 75.54 109.956 172.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.502 ' HB2' HD11 ' B' ' 4' ' ' LEU . 1.8 tm-20 -109.23 118.5 36.88 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.825 0.85 . . . . 75.54 109.721 178.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -117.8 111.95 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 N-CA-C 109.252 -0.647 . . . . 74.42 109.252 169.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 62.94 34.98 13.67 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 124.213 1.005 . . . . 74.55 113.017 173.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.87 13.79 82.78 Favored Glycine 0 CA--C 1.542 1.769 0 N-CA-C 114.355 0.502 . . . . 51.5 114.355 -175.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -116.07 150.85 36.65 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 123.963 0.905 . . . . 61.01 111.187 -175.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.7 mt -73.44 111.15 7.83 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 123.403 0.681 . . . . 65.25 110.759 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.471 ' HD2' ' HB3' ' A' ' 58' ' ' SER . 91.5 t80 -117.55 103.09 9.73 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.73 1.212 . . . . 72.1 109.29 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.689 HG12 HG22 ' A' ' 57' ' ' THR . 34.0 m -110.26 151.32 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 122.834 0.453 . . . . 63.25 111.016 -176.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.66 158.79 43.92 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.92 0.888 . . . . 74.24 109.38 177.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.475 HD23 HG12 ' A' ' 55' ' ' VAL . 25.4 mt -61.04 163.69 5.74 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 118.754 0.707 . . . . 75.22 111.571 176.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.97 87.36 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-O 121.945 0.879 . . . . 70.03 109.803 173.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 pp -118.8 134.02 55.44 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.632 1.173 . . . . 51.51 109.414 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -80.29 89.86 5.53 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-O 122.191 0.996 . . . . 71.23 111.678 -176.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -136.55 108.22 7.01 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.084 0.953 . . . . 62.41 109.718 173.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -60.38 102.42 0.18 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.964 0.906 . . . . 75.03 109.617 175.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -116.32 120.41 38.81 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.411 0.684 . . . . 72.41 109.707 -176.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -69.19 90.94 0.5 Allowed 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.194 0.597 . . . . 72.25 110.916 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 -157.51 120.59 3.99 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.722 0.809 . . . . 75.13 109.668 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 25.1 p80 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 112.692 0.627 . . . . 72.32 112.692 178.967 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 CA--C 1.551 1.018 0 N-CA-C 110.827 -0.064 . . . . 53.44 110.827 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -81.66 126.09 31.35 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.565 0.346 . . . . 72.21 110.753 175.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.2 tpt -103.44 171.62 7.27 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 123.345 0.658 . . . . 71.02 110.145 176.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 59' ' ' GLU . 6.5 mp -59.48 -26.0 64.9 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 123.767 0.827 . . . . 72.21 111.296 178.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -69.98 -50.28 43.3 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.217 1.007 . . . . 65.43 111.448 173.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -65.16 -48.18 74.41 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 116.273 -0.421 . . . . 64.1 111.626 -172.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -27.09 67.3 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 116.138 -0.483 . . . . 75.3 111.672 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.86 99.6 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 122.9 0.48 . . . . 72.43 110.94 172.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.22 -33.21 68.89 Favored Glycine 0 C--N 1.347 1.166 0 CA-C-N 115.532 -0.758 . . . . 75.5 113.723 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.76 -52.05 54.18 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.299 0.64 . . . . 50.41 111.378 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.532 HD22 HD21 ' B' ' 36' ' ' LEU . 93.0 mt -62.48 -34.31 76.58 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.654 0.782 . . . . 73.03 111.517 177.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.99 -38.6 68.05 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.399 0.679 . . . . 71.45 112.467 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.26 -50.44 67.76 Favored Glycine 0 CA--C 1.541 1.666 0 CA-C-N 115.979 -0.555 . . . . 70.55 114.181 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -73.79 -33.09 64.07 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 122.911 0.484 . . . . 64.41 112.147 -177.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.493 HG23 HG21 ' B' ' 30' ' ' ILE . 94.5 mt -64.63 -44.69 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 C-N-CA 122.908 0.483 . . . . 74.23 110.589 175.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' TRP . . . . . 0.489 ' CD1' ' HD3' ' B' ' 54' ' ' LYS . 72.2 t90 -61.84 -42.04 98.55 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.28 0.632 . . . . 75.51 111.436 175.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -60.78 -37.01 80.43 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.194 0.997 . . . . 74.54 111.382 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.35 86.96 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.053 0.541 . . . . 70.21 111.583 174.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.488 HD21 HD11 ' B' ' 30' ' ' ILE . 68.3 mt -81.42 -21.34 38.98 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.099 0.96 . . . . 72.24 111.821 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.632 ' HA ' HD11 ' B' ' 68' ' ' LEU . 28.7 t-20 -71.22 128.9 37.44 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.489 0.716 . . . . 73.11 111.096 -177.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.07 3.32 74.97 Favored Glycine 0 CA--C 1.539 1.548 0 N-CA-C 114.921 0.729 . . . . 63.31 114.921 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.9 p -117.14 171.84 7.68 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.723 0.809 . . . . 73.43 111.322 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.84 -6.95 45.37 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.137 0.975 . . . . 74.41 112.798 171.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.533 ' HA3' ' HB3' ' B' ' 67' ' ' LYS . . . 98.56 153.97 28.72 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 112.518 -0.233 . . . . 71.25 112.518 -174.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' B' ' 29' ' ' GLN . 5.8 mp -127.62 159.1 35.69 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.641 0.776 . . . . 64.35 110.087 -175.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 67.0 p -81.24 168.92 17.96 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 116.367 -0.379 . . . . 70.23 110.716 170.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -50.67 -49.77 56.35 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 124.083 0.953 . . . . 55.33 111.755 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -61.59 -41.52 97.55 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 124.504 1.122 . . . . 75.44 112.449 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.475 ' HB3' HD23 ' B' ' 25' ' ' LEU . 78.9 mt-30 -67.91 -41.24 82.98 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.334 0.654 . . . . 71.25 112.259 178.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.493 HG21 HG23 ' B' ' 15' ' ' ILE . 83.0 mt -64.81 -38.12 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 123.211 0.604 . . . . 73.23 110.894 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -56.9 -37.41 71.37 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 122.619 0.368 . . . . 61.23 111.873 175.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -71.7 -43.98 64.99 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 122.882 0.473 . . . . 65.23 111.577 174.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.66 -43.36 84.77 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.523 0.729 . . . . 51.41 112.63 -176.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 63.2 p -91.99 -19.07 22.79 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.397 1.079 . . . . 64.21 112.162 -176.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm 72.1 37.53 0.98 Allowed 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 125.184 1.394 . . . . 70.13 111.952 -175.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.532 HD21 HD22 ' B' ' 11' ' ' LEU . 78.0 mt -80.31 120.36 24.27 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 122.093 -0.379 . . . . 73.24 111.504 173.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -69.93 -58.38 3.92 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.974 0.91 . . . . 71.41 111.269 177.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.74 128.57 43.82 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.204 0.602 . . . . 63.42 111.281 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -65.55 -26.51 67.91 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.1 0.96 . . . . 74.31 111.625 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -37.66 67.43 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.98 0.912 . . . . 74.24 111.988 175.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -75.03 -37.23 61.8 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.642 0.777 . . . . 62.55 111.332 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -56.86 -43.32 81.07 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.528 0.731 . . . . 61.42 112.159 176.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -65.22 -33.19 75.41 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 112.834 0.679 . . . . 71.41 112.834 -177.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.72 -35.25 72.62 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.929 0.492 . . . . 64.32 111.001 174.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLY . . . . . 0.442 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -69.52 -47.33 50.88 Favored Glycine 0 CA--C 1.539 1.562 0 CA-C-N 116.522 -0.308 . . . . 71.34 113.06 174.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.9 tp -68.17 -29.71 68.64 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.333 1.053 . . . . 75.01 111.211 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.47 -31.33 68.34 Favored Glycine 0 N--CA 1.472 1.082 0 CA-C-N 115.42 -0.809 . . . . 30.1 111.707 174.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' TRP . . . . . 0.444 ' O ' ' HG2' ' B' ' 52' ' ' GLU . 10.7 t-105 -74.06 -30.7 62.52 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 123.854 0.862 . . . . 51.24 110.79 173.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.529 HD23 HG11 ' B' ' 55' ' ' VAL . 7.1 mp -63.35 -40.22 96.68 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.319 0.648 . . . . 63.31 111.172 170.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.76 -34.68 78.37 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.741 0.816 . . . . 73.44 111.529 172.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.574 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 11.2 ttt85 -58.58 -47.88 82.8 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.531 0.733 . . . . 73.02 111.247 171.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.501 ' HB2' ' HG2' ' B' ' 54' ' ' LYS . 50.7 mm-40 -79.26 -17.09 55.4 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 116.231 -0.44 . . . . 74.23 112.038 -175.161 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 62.03 27.05 16.36 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.611 1.164 . . . . 63.13 112.558 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.501 ' HG2' ' HB2' ' B' ' 52' ' ' GLU . 15.1 ptpt -91.27 -7.65 50.55 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.644 0.778 . . . . 75.34 112.318 -178.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.529 HG11 HD23 ' B' ' 49' ' ' LEU . 16.1 m -133.84 162.68 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 CA-C-O 121.631 0.729 . . . . 41.34 112.526 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.656 HG13 HG22 ' B' ' 69' ' ' VAL . 31.3 m -112.53 133.92 56.76 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 124.628 1.171 . . . . 52.44 110.278 166.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' THR . . . . . 0.515 ' HA ' HG12 ' B' ' 66' ' ' VAL . 74.9 p -103.93 144.04 32.05 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.559 0.744 . . . . 74.44 110.093 177.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 89.7 p -149.17 170.64 17.97 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.411 0.685 . . . . 71.04 110.278 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -116.85 120.87 39.85 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.12 0.968 . . . . 72.52 109.118 175.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 56.3 t -111.21 107.88 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.395 0.678 . . . . 73.34 109.62 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 52.27 40.29 28.8 Favored 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 125.304 1.442 . . . . 75.13 114.088 172.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.05 -7.15 67.02 Favored Glycine 0 CA--C 1.542 1.776 0 N-CA-C 115.038 0.775 . . . . 72.22 115.038 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -109.2 154.73 21.97 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 117.613 0.706 . . . . 70.33 111.148 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 58.2 mt -81.11 118.09 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 122.849 0.46 . . . . 52.25 110.107 175.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -114.92 130.06 56.83 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.71 -0.848 . . . . 74.31 108.71 172.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' B' ' 57' ' ' THR . 33.7 m -135.86 154.82 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 123.004 0.522 . . . . 64.23 111.121 -176.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.533 ' HB3' ' HA3' ' B' ' 24' ' ' GLY . 20.8 ptmt -160.69 -178.44 6.86 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.209 0.604 . . . . 70.12 110.134 176.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.632 HD11 ' HA ' ' B' ' 20' ' ' ASN . 14.5 mt -76.25 -179.19 4.91 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 112.516 0.561 . . . . 71.53 112.516 -175.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.656 HG22 HG13 ' B' ' 56' ' ' VAL . 4.4 t -111.85 -1.24 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 C-N-CA 123.815 0.846 . . . . 75.15 110.427 168.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.43 HD23 ' H ' ' B' ' 69' ' ' VAL . 0.9 OUTLIER -132.94 46.65 2.59 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.508 0.723 . . . . 75.12 112.448 -164.727 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.68 108.45 2.48 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 122.052 -0.405 . . . . 74.14 110.239 175.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -67.66 109.0 3.12 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.266 0.627 . . . . 63.43 111.473 -174.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -71.89 85.13 0.96 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.63 0.772 . . . . 71.5 109.672 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -78.0 75.53 4.53 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-O 122.251 1.024 . . . . 72.24 110.468 -176.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -147.5 142.88 27.41 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.396 1.478 . . . . 75.13 109.367 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -87.67 -14.43 39.94 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 123.447 0.699 . . . . 74.54 111.618 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 . . . . . 0 N--CA 1.487 1.388 0 C-N-CA 123.243 0.617 . . . . 74.45 110.966 177.73 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 112.406 0.521 . . . . 73.43 112.406 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -55.55 -58.42 7.87 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 123.844 0.858 . . . . 70.11 112.217 -174.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.563 ' HB2' ' HG2' ' A' ' 6' ' ' GLU . 92.7 mmm -123.72 161.4 25.22 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.565 0.746 . . . . 63.01 109.621 172.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.484 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 8.7 mp -68.14 -19.23 64.79 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.089 0.471 . . . . 74.12 111.384 176.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -74.94 -45.74 40.4 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.35 1.06 . . . . 72.15 110.774 172.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.563 ' HG2' ' HB2' ' A' ' 3' ' ' MET . 20.9 mm-40 -71.9 -41.25 68.18 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 115.628 -0.714 . . . . 64.13 111.918 -173.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.484 ' HG2' ' HA ' ' A' ' 4' ' ' LEU . 20.2 ptmt -60.74 -37.25 81.13 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.629 0.371 . . . . 71.25 111.306 175.012 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 7' ' ' LYS . . . -61.44 -32.41 72.38 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.646 0.779 . . . . 61.43 110.852 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.32 -36.81 59.45 Favored Glycine 0 CA--C 1.537 1.469 0 CA-C-N 114.97 -1.014 . . . . 54.32 113.298 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.65 82.48 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.076 0.55 . . . . 60.01 111.17 175.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.07 -36.32 81.75 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.075 0.95 . . . . 71.12 110.593 175.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -58.97 -29.74 67.4 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.836 -0.62 . . . . 63.43 112.216 175.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.86 -54.98 29.49 Favored Glycine 0 CA--C 1.534 1.273 0 O-C-N 123.418 0.449 . . . . 35.44 113.156 174.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -74.96 -37.44 61.96 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 113.122 0.786 . . . . 63.52 113.122 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.584 HG23 HG21 ' A' ' 30' ' ' ILE . 83.0 mt -67.93 -41.33 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 123.195 0.598 . . . . 53.44 111.012 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -65.65 -41.86 92.08 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 122.829 0.452 . . . . 71.42 111.224 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -62.21 -29.55 70.46 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 112.397 0.517 . . . . 73.41 112.397 176.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.44 91.04 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 121.238 0.542 . . . . 72.23 110.925 172.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.527 ' HA ' HD13 ' A' ' 25' ' ' LEU . 51.4 mt -80.38 -23.71 40.27 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.466 1.106 . . . . 52.51 112.121 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -69.91 133.63 47.54 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.643 0.777 . . . . 73.42 111.516 -174.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.38 10.77 75.43 Favored Glycine 0 CA--C 1.538 1.525 0 CA-C-N 115.702 -0.681 . . . . 61.22 114.008 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 m -127.33 159.98 32.76 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.995 0.918 . . . . 75.33 110.645 -177.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -59.75 -30.03 68.56 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.452 1.101 . . . . 64.4 113.366 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.669 ' HA3' ' HG2' ' A' ' 67' ' ' LYS . . . 133.11 141.69 4.64 Favored Glycine 0 N--CA 1.477 1.405 0 N-CA-C 111.853 -0.499 . . . . 52.1 111.853 -171.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 19' ' ' LEU . 7.0 mp -123.68 153.36 40.92 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.329 0.652 . . . . 73.35 111.334 -170.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.7 p -84.89 -177.54 6.6 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.492 0.717 . . . . 75.13 110.454 171.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 42.4 mt-30 -57.07 -49.62 75.3 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 119.278 -0.392 . . . . 73.41 111.592 173.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -58.53 -43.0 89.06 Favored 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 123.519 0.728 . . . . 74.4 112.347 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.446 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 19.3 mm-40 -67.0 -44.65 79.84 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 115.883 -0.599 . . . . 74.15 111.98 -176.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.584 HG21 HG23 ' A' ' 15' ' ' ILE . 73.0 mt -67.55 -42.2 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 C-N-CA 122.666 0.386 . . . . 71.45 110.44 175.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 42.3 tttp -55.88 -35.67 66.76 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 125.367 1.467 . . . . 72.22 111.426 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -66.41 -52.31 47.93 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-N 114.989 -1.005 . . . . 74.3 111.061 172.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.49 -22.06 59.26 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 113.611 0.967 . . . . 51.43 113.611 -172.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.8 p -108.8 -19.02 13.56 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.717 0.807 . . . . 70.24 112.394 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm 67.97 32.39 5.12 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.441 1.096 . . . . 74.12 112.121 177.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.8 mt -87.87 96.55 10.52 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.733 0.413 . . . . 64.15 110.652 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -39.93 93.1 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 123.955 0.902 . . . . 72.55 111.637 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.35 119.95 33.88 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.742 0.817 . . . . 74.2 110.352 177.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -67.72 -24.4 65.37 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 122.673 0.389 . . . . 64.31 111.704 176.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -52.04 -41.61 62.44 Favored 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 123.865 0.866 . . . . 64.21 111.251 174.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -69.99 -44.27 69.72 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.405 1.082 . . . . 74.24 109.786 177.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.417 ' CE2' ' HG2' ' A' ' 27' ' ' GLN . 52.0 t80 -57.36 -44.0 83.97 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.791 1.236 . . . . 64.23 113.108 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -63.47 -32.78 74.32 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 123.455 0.702 . . . . 72.44 112.541 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.75 -43.38 93.51 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 122.923 0.489 . . . . 75.44 111.028 174.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.533 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -67.99 -48.92 51.25 Favored Glycine 0 C--N 1.35 1.354 0 CA-C-N 116.307 -0.406 . . . . 75.52 113.412 177.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.666 HD11 HG11 ' A' ' 66' ' ' VAL . 58.9 tp -65.15 -32.58 74.34 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.834 0.854 . . . . 73.12 111.482 178.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.79 -31.6 76.14 Favored Glycine 0 N--CA 1.47 0.959 0 CA-C-N 115.304 -0.862 . . . . 54.44 111.824 175.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.529 ' HA ' ' HB3' ' A' ' 51' ' ' ARG . 20.8 t-105 -74.55 -27.94 60.73 Favored 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 123.279 0.631 . . . . 75.21 110.721 174.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.556 HD23 HG11 ' A' ' 55' ' ' VAL . 6.6 mp -64.65 -39.09 93.08 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 123.018 0.527 . . . . 75.14 111.314 171.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.533 HD21 HG23 ' A' ' 57' ' ' THR . 68.5 mt -68.93 -35.39 76.74 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.902 0.481 . . . . 53.43 111.141 172.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.529 ' HB3' ' HA ' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -60.41 -42.13 95.35 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.073 0.949 . . . . 74.35 110.698 175.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -83.06 -11.51 57.97 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.272 0.629 . . . . 73.32 112.191 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 70.44 18.84 6.53 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 125.374 1.47 . . . . 74.13 112.464 -176.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -79.36 -14.93 58.65 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 113.782 1.03 . . . . 72.1 113.782 -174.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.556 HG11 HD23 ' A' ' 49' ' ' LEU . 32.7 m -132.88 154.2 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 N-CA-C 113.35 0.87 . . . . 72.13 113.35 -176.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -105.03 129.7 57.29 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 CA-C-N 114.686 -1.143 . . . . 73.43 109.201 171.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.533 HG23 HD21 ' A' ' 50' ' ' LEU . 15.5 p -101.69 134.21 45.19 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.746 0.784 . . . . 73.51 111.681 -176.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.3 t -146.01 171.63 14.58 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.199 1.4 . . . . 62.02 108.405 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -126.86 119.87 27.84 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.76 -0.459 . . . . 63.03 109.76 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.4 t -104.82 110.5 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.136 0.974 . . . . 75.54 109.821 178.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 51.37 42.1 28.83 Favored 'General case' 0 CA--C 1.564 1.514 0 C-N-CA 125.518 1.527 . . . . 73.3 113.677 170.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.18 8.34 61.54 Favored Glycine 0 CA--C 1.537 1.466 0 N-CA-C 115.274 0.869 . . . . 63.11 115.274 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -136.07 154.47 51.01 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 118.017 0.908 . . . . 53.24 110.777 176.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 61.6 mt -76.76 130.48 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 122.983 0.513 . . . . 74.52 110.857 -176.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -128.6 129.53 46.05 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.584 1.153 . . . . 73.12 109.766 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.666 HG11 HD11 ' A' ' 46' ' ' LEU . 25.7 m -131.6 151.07 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.332 0.653 . . . . 74.14 112.141 -175.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.669 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 38.6 mtmm -134.96 161.4 35.38 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.793 0.837 . . . . 73.15 109.671 176.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.0 mt -77.3 136.48 38.48 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 117.768 0.258 . . . . 70.12 111.514 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.7 t -79.4 77.16 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-O 122.012 0.911 . . . . 63.44 109.668 172.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.7 mt -91.7 -13.75 31.19 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 114.985 -1.007 . . . . 74.1 110.429 174.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -133.14 135.03 44.94 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.405 1.082 . . . . 71.54 110.005 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -107.91 102.36 11.55 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.917 0.887 . . . . 71.1 111.32 -174.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -159.83 163.76 34.21 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.047 0.939 . . . . 74.22 111.245 175.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -80.45 84.53 6.05 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-O 121.189 0.519 . . . . 74.23 111.067 176.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -90.85 -5.34 55.69 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.423 0.63 . . . . 74.42 109.786 171.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.441 ' ND1' ' SD ' ' B' ' 3' ' ' MET . 83.7 m-70 -133.76 167.12 21.12 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.32 1.048 . . . . 74.32 110.728 178.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 . . . . . 0 N--CA 1.481 1.116 0 C-N-CA 123.914 0.885 . . . . 52.14 109.845 174.514 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.4 mmt . . . . . 0 CA--C 1.549 0.933 0 CA-C-O 120.588 0.232 . . . . 74.05 111.207 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -88.71 130.12 35.39 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.596 0.758 . . . . 65.31 110.314 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.441 ' SD ' ' ND1' ' A' ' 76' ' ' HIS . 31.3 mmt -83.83 174.58 10.29 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 114.203 1.186 . . . . 64.54 114.203 -166.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.65 -26.76 66.38 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.405 1.082 . . . . 73.01 111.929 -175.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -74.44 -38.46 63.0 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.039 0.447 . . . . 70.42 110.531 172.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -77.24 -39.18 49.36 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 112.781 0.66 . . . . 73.33 112.781 -173.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -26.34 68.52 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 118.05 0.387 . . . . 74.13 111.61 175.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.36 -41.46 84.79 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.516 0.726 . . . . 63.41 111.475 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.13 -35.44 64.27 Favored Glycine 0 CA--C 1.539 1.581 0 CA-C-N 115.794 -0.639 . . . . 64.31 114.427 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.27 -46.98 72.07 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 121.236 0.541 . . . . 65.53 111.307 177.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.439 HD13 ' HB3' ' B' ' 41' ' ' ASP . 88.6 mt -68.94 -30.44 68.89 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.612 0.765 . . . . 74.2 111.266 176.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.03 81.84 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.646 0.779 . . . . 60.43 111.774 174.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.33 -45.3 92.97 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-N 115.725 -0.671 . . . . 52.12 112.829 173.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.45 -50.48 63.19 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.731 0.812 . . . . 73.45 111.643 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.584 HG23 HG21 ' B' ' 30' ' ' ILE . 82.6 mt -60.65 -44.52 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 124.192 0.997 . . . . 75.2 111.784 -177.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -63.68 -43.39 96.81 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 116.156 -0.474 . . . . 75.44 111.309 177.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -64.2 -28.39 69.72 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 112.506 0.558 . . . . 65.3 112.506 177.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.99 89.05 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 121.181 0.515 . . . . 51.4 110.962 172.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.445 HD21 HD11 ' B' ' 30' ' ' ILE . 79.7 mt -79.48 -24.58 42.24 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.215 1.006 . . . . 75.14 111.966 177.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -68.21 126.89 30.98 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.005 0.922 . . . . 75.1 111.22 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.02 10.9 84.17 Favored Glycine 0 CA--C 1.54 1.602 0 CA-C-N 115.919 -0.582 . . . . 64.44 113.681 -174.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.6 m -126.42 159.33 33.6 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.821 0.848 . . . . 64.21 111.079 -175.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -66.19 -25.22 66.84 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.767 1.227 . . . . 53.44 113.076 175.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.47 145.76 6.73 Favored Glycine 0 C--N 1.348 1.21 0 N-CA-C 112.206 -0.358 . . . . 74.32 112.206 -171.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.45 HD23 ' HB3' ' B' ' 29' ' ' GLN . 4.8 mp -126.49 161.08 28.79 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.102 0.561 . . . . 74.31 110.523 -177.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 69.8 p -81.03 171.56 14.82 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 116.187 -0.46 . . . . 73.3 110.484 172.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -47.23 82.42 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 112.324 0.49 . . . . 73.44 112.324 -176.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -65.72 -41.32 92.43 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.268 0.627 . . . . 74.15 111.733 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.45 ' HB3' HD23 ' B' ' 25' ' ' LEU . 50.3 mt-30 -58.44 -43.25 88.7 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.261 0.624 . . . . 70.33 111.902 179.169 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.584 HG21 HG23 ' B' ' 15' ' ' ILE . 73.9 mt -71.84 -46.45 60.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.245 0.618 . . . . 73.12 111.28 178.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -56.85 -33.13 66.49 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 123.254 0.622 . . . . 74.34 111.99 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -70.18 -53.14 18.43 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 123.272 0.629 . . . . 72.34 111.581 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.57 -48.69 79.8 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.657 0.783 . . . . 73.53 112.285 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.425 ' OG1' ' HG ' ' B' ' 36' ' ' LEU . 49.9 p -83.53 -12.82 55.73 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 124.329 1.052 . . . . 74.2 112.171 -179.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.1 38.57 2.64 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 125.246 1.418 . . . . 65.51 112.588 175.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' B' ' 41' ' ' ASP . 86.9 mt -65.39 148.9 50.9 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.617 0.767 . . . . 70.23 111.511 175.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -93.3 -50.99 5.2 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.2 0.6 . . . . 73.1 111.073 -178.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.73 157.91 17.1 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.616 0.766 . . . . 60.23 111.201 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.49 -32.51 73.98 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 115.336 -0.847 . . . . 61.41 110.09 165.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -59.66 -36.36 76.27 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.11 0.964 . . . . 73.31 112.078 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.47 ' HB3' HD22 ' B' ' 36' ' ' LEU . 66.3 m-20 -63.26 -34.92 78.72 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.454 0.702 . . . . 64.31 110.874 175.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -74.69 -40.08 61.58 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 115.592 -0.731 . . . . 74.33 111.807 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -66.42 -43.95 84.28 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 122.717 0.407 . . . . 63.32 111.925 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.51 -37.35 74.14 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.215 0.606 . . . . 71.33 110.714 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLY . . . . . 0.503 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -63.94 -56.62 17.58 Favored Glycine 0 CA--C 1.538 1.499 0 CA-C-N 116.369 -0.378 . . . . 74.24 113.246 176.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.85 -28.6 69.1 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 123.44 0.696 . . . . 65.22 110.486 177.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.09 -31.61 81.37 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 115.952 -0.567 . . . . 74.42 112.233 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' TRP . . . . . 0.481 ' HA ' ' HG3' ' B' ' 51' ' ' ARG . 12.9 t-105 -73.42 -34.34 65.4 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-O 120.924 0.392 . . . . 75.32 110.278 173.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.594 HD23 HG11 ' B' ' 55' ' ' VAL . 6.5 mp -62.3 -32.79 73.58 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.073 0.549 . . . . 71.15 111.283 171.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 84.2 mt -71.05 -38.84 72.53 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.322 0.649 . . . . 64.2 111.888 175.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.481 ' HG3' ' HA ' ' B' ' 48' ' ' TRP . 0.1 OUTLIER -74.39 -21.41 59.66 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.944 -0.473 . . . . 63.14 111.794 176.341 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -85.22 -16.16 41.18 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.725 0.41 . . . . 73.14 111.102 170.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 27.8 t70 67.5 22.49 9.26 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 125.246 1.418 . . . . 72.33 111.579 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -88.14 -6.85 57.65 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.118 0.784 . . . . 73.41 113.118 -176.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.594 HG11 HD23 ' B' ' 49' ' ' LEU . 33.4 m -134.18 161.7 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 CA-C-O 122.066 0.936 . . . . 75.25 112.969 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -129.63 130.34 66.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 113.937 -1.483 . . . . 65.12 108.466 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' THR . . . . . 0.67 HG22 HG12 ' B' ' 66' ' ' VAL . 76.2 p -105.01 132.05 51.75 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.498 0.719 . . . . 72.12 110.246 -170.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 50.3 p -139.42 163.75 31.7 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.085 0.954 . . . . 63.42 109.881 -175.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -109.65 119.31 39.01 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.614 0.366 . . . . 75.41 110.953 -176.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 73.6 t -110.1 109.33 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 108.803 -0.814 . . . . 74.55 108.803 169.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 54.45 50.88 15.18 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 125.029 1.332 . . . . 72.21 113.067 175.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.14 7.62 86.81 Favored Glycine 0 CA--C 1.54 1.615 0 N-CA-C 115.195 0.838 . . . . 64.24 115.195 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -122.66 156.9 33.4 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 117.841 0.82 . . . . 75.24 111.819 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 57.9 mt -80.99 116.26 24.99 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.066 0 CA-C-N 115.608 -0.724 . . . . 64.32 110.781 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -116.19 103.82 10.91 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.029 1.332 . . . . 75.22 108.693 177.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.67 HG12 HG22 ' B' ' 57' ' ' THR . 19.0 m -98.42 146.52 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 122.742 0.417 . . . . 72.21 110.23 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -153.96 154.85 34.54 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.963 0.505 . . . . 73.21 110.033 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.53 HD23 HG12 ' B' ' 55' ' ' VAL . 61.6 mt -68.56 150.13 48.39 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 118.048 0.386 . . . . 61.1 111.984 -176.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.2 t -74.67 79.15 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-O 121.958 0.885 . . . . 61.0 109.626 175.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 65.8 mt -106.14 -57.08 2.1 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.155 0.982 . . . . 75.02 108.974 177.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -108.63 143.1 38.13 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.957 0.903 . . . . 71.13 110.543 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -93.11 45.33 1.17 Allowed 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 124.385 1.074 . . . . 72.13 111.212 177.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -74.7 125.74 29.36 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.656 0.782 . . . . 74.24 111.427 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -82.68 142.87 31.34 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.794 0.838 . . . . 74.3 111.041 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -92.53 159.63 15.42 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.08 0.552 . . . . 74.53 111.158 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -99.84 173.84 6.49 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.469 0.708 . . . . 64.53 110.689 171.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 30.1 p80 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 121.666 0.746 . . . . 64.15 112.42 -176.187 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.7 mtt . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 120.714 0.293 . . . . 73.22 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -70.85 -39.76 72.76 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 109.672 -0.492 . . . . 54.32 109.672 176.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.5 ptm -141.43 163.75 32.08 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.658 0.783 . . . . 73.53 110.437 172.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.9 mt -69.27 -25.52 64.31 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 112.006 0.373 . . . . 74.33 112.006 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -65.15 -34.1 77.58 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 123.544 0.738 . . . . 74.24 111.008 173.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -68.91 -51.31 41.31 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.571 0.748 . . . . 72.14 111.175 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -22.54 62.87 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 112.277 0.473 . . . . 71.11 112.277 -175.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.68 -36.87 82.12 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.811 0.445 . . . . 74.14 110.689 169.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.11 -32.07 72.57 Favored Glycine 0 CA--C 1.538 1.519 0 CA-C-N 115.308 -0.86 . . . . 73.31 113.958 172.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.59 -45.42 75.57 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 122.986 0.515 . . . . 71.11 111.443 174.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.06 -39.47 89.99 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.534 0.734 . . . . 72.4 110.71 173.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.548 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -59.5 -43.12 93.42 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.848 0.859 . . . . 72.44 112.367 174.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.471 ' O ' ' HG2' ' A' ' 17' ' ' GLU . . . -57.19 -53.87 41.39 Favored Glycine 0 C--N 1.344 1.013 0 CA-C-N 115.069 -0.969 . . . . 64.35 113.771 -178.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -65.35 -32.81 74.65 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.401 0.519 . . . . 72.34 112.401 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.521 HG23 HG21 ' A' ' 30' ' ' ILE . 87.5 mt -68.14 -44.42 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 123.037 0.535 . . . . 73.23 111.053 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.455 ' NE1' ' HG2' ' A' ' 54' ' ' LYS . 51.9 t90 -66.49 -43.24 85.91 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 119.7 -0.191 . . . . 73.43 110.892 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 13' ' ' GLY . 44.4 mm-40 -64.83 -31.4 72.61 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 117.813 0.279 . . . . 71.35 111.203 178.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.66 -29.46 66.91 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.229 0.612 . . . . 75.33 111.694 173.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.5 mt -91.75 -10.94 38.22 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.664 0.786 . . . . 64.31 112.725 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -69.97 125.27 26.25 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 121.983 -0.448 . . . . 63.13 109.948 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.93 3.73 85.26 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-N 116.238 -0.437 . . . . 53.43 113.234 -174.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.9 p -112.39 152.73 28.29 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.473 0.709 . . . . 73.43 109.832 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -83.48 -7.27 59.57 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.009 0.524 . . . . 75.12 112.314 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.53 126.63 3.21 Favored Glycine 0 C--N 1.354 1.537 0 C-N-CA 123.014 0.34 . . . . 61.3 113.475 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mp -124.66 171.39 10.1 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.794 0.838 . . . . 72.13 110.804 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 65' ' ' PHE . 42.7 p -85.68 168.19 14.61 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.693 0.397 . . . . 65.32 110.478 176.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.442 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -65.43 -37.24 86.34 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 113.266 0.839 . . . . 75.42 113.266 -166.011 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -70.54 -32.31 69.69 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.714 0.806 . . . . 71.51 111.863 177.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -67.9 -41.33 82.85 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.257 0.623 . . . . 74.01 111.318 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.521 HG21 HG23 ' A' ' 15' ' ' ILE . 21.9 mt -67.67 -39.01 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 C-N-CA 122.879 0.472 . . . . 73.11 110.291 176.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -58.17 -32.71 68.49 Favored 'General case' 0 CA--C 1.559 1.327 0 C-N-CA 124.57 1.148 . . . . 75.52 111.333 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -66.5 -53.93 29.61 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.637 0.775 . . . . 74.33 111.299 169.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.66 -34.9 71.75 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.94 0.896 . . . . 60.03 112.568 -174.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.2 p -94.92 -18.55 21.02 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.274 1.029 . . . . 63.13 112.373 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 63.51 25.31 14.39 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 124.487 1.115 . . . . 70.41 112.613 -177.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.88 119.96 12.22 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.08 0.552 . . . . 74.23 110.306 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -71.71 -32.37 67.73 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 112.581 0.585 . . . . 74.14 112.581 -170.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.62 143.69 44.99 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 121.446 0.641 . . . . 71.55 110.681 173.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -66.85 -24.62 66.17 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.761 0.824 . . . . 53.54 110.662 170.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -61.27 -45.29 95.13 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.408 1.083 . . . . 74.44 113.023 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -75.74 -28.12 58.38 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.041 0.448 . . . . 55.52 110.771 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.442 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 81.6 t80 -58.97 -39.89 83.13 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.497 0.719 . . . . 60.35 111.165 167.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.56 ' HE2' ' HD2' ' B' ' 40' ' ' LYS . 22.0 m-85 -65.94 -32.95 74.74 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 122.758 0.423 . . . . 74.23 111.961 177.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -68.21 -39.25 82.44 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.994 0.517 . . . . 73.13 110.933 173.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.413 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -71.19 -62.13 3.65 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 116.337 -0.392 . . . . 54.21 113.38 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.459 HD11 HG11 ' A' ' 66' ' ' VAL . 58.0 tp -56.66 -34.2 67.12 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 124.364 1.066 . . . . 73.2 112.339 175.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.9 -32.48 82.85 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 116.122 -0.49 . . . . 54.21 112.458 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.548 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 38.1 t-105 -75.83 -24.32 55.81 Favored 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 123.16 0.584 . . . . 75.11 110.985 172.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.613 HD23 HG11 ' A' ' 55' ' ' VAL . 6.6 mp -67.42 -30.47 70.24 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.879 -0.513 . . . . 34.43 111.136 169.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.549 HD21 HG23 ' A' ' 57' ' ' THR . 89.7 mt -75.37 -33.98 61.09 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.63 0.772 . . . . 72.41 111.252 171.223 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.494 ' HG2' ' HA ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -55.75 -45.85 77.95 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.245 1.018 . . . . 72.2 109.922 170.447 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -77.37 -22.44 51.7 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 123.881 0.872 . . . . 72.33 111.18 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.0 t70 62.7 22.1 13.14 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.746 1.219 . . . . 73.42 110.727 -173.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.455 ' HG2' ' NE1' ' A' ' 16' ' ' TRP . 23.3 ttpp -88.93 1.96 54.59 Favored 'General case' 0 CA--C 1.565 1.552 0 C-N-CA 125.075 1.35 . . . . 44.44 112.199 -174.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.613 HG11 HD23 ' A' ' 49' ' ' LEU . 33.6 m -134.07 169.07 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 CA-C-O 121.444 0.64 . . . . 62.42 111.814 169.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.4 t -117.13 130.53 71.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 C-N-CA 124.897 1.279 . . . . 74.43 109.668 172.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.549 HG23 HD21 ' A' ' 50' ' ' LEU . 21.2 p -103.43 133.53 48.33 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.395 0.678 . . . . 73.03 110.864 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.0 t -144.27 169.75 17.3 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.256 1.022 . . . . 42.32 110.293 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.457 ' HB2' HD11 ' B' ' 4' ' ' LEU . 32.2 tt0 -114.31 114.78 26.39 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.97 0.908 . . . . 73.31 109.937 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.612 HG12 ' HG2' ' A' ' 61' ' ' GLU . 76.1 t -131.71 127.91 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 123.477 0.711 . . . . 64.24 109.648 174.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.612 ' HG2' HG12 ' A' ' 60' ' ' VAL . 10.8 mm-40 62.73 31.33 16.66 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.164 1.386 . . . . 72.51 112.46 176.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 73.05 20.53 80.0 Favored Glycine 0 C--N 1.354 1.575 0 CA-C-N 116.256 -0.429 . . . . 34.05 114.007 -178.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -136.37 162.87 31.84 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.127 0.571 . . . . 75.55 111.357 -177.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.407 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 56.0 mt -72.23 104.75 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.117 0 C-N-CA 123.574 0.75 . . . . 73.44 110.553 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.433 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 86.0 t80 -100.73 121.27 41.38 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.716 0.806 . . . . 74.03 109.377 173.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.459 HG11 HD11 ' A' ' 46' ' ' LEU . 22.7 m -124.66 156.93 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-O 121.563 0.697 . . . . 61.1 111.695 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -143.81 159.44 42.52 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 114.713 -1.13 . . . . 63.44 108.812 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.0 mt -73.92 158.8 33.77 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 118.201 0.455 . . . . 72.13 110.808 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 51.2 t -79.2 80.45 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 108.29 -1.004 . . . . 63.33 108.29 168.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.466 ' H ' HD23 ' A' ' 70' ' ' LEU . 1.6 pt? -97.03 125.7 41.65 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 114.49 -1.232 . . . . 55.24 110.718 -172.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -113.93 -3.04 13.43 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 113.213 0.82 . . . . 74.44 113.213 -172.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -62.52 -39.59 94.04 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 122.822 0.449 . . . . 65.12 110.791 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -152.57 123.72 7.58 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.832 0.853 . . . . 71.43 109.611 175.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -73.97 130.26 39.52 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 122.907 0.483 . . . . 73.15 111.5 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -84.29 116.93 23.25 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.978 0.511 . . . . 73.11 109.895 176.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -79.02 5.37 11.94 Favored 'General case' 0 CA--C 1.567 1.597 0 C-N-CA 123.801 0.84 . . . . 74.43 112.87 -171.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.6 p80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 121.492 0.663 . . . . 72.31 111.014 170.587 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 61.5 mtt . . . . . 0 CA--C 1.551 0.997 0 CA-C-O 120.688 0.28 . . . . 64.22 111.301 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -77.86 -3.14 40.1 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.144 0.978 . . . . 62.13 112.458 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.652 ' HB2' ' HG2' ' B' ' 6' ' ' GLU . 89.6 mmm -86.91 138.12 31.8 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.197 0.599 . . . . 74.12 110.396 176.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.466 ' HB2' ' HB ' ' A' ' 57' ' ' THR . 8.3 mp -68.12 -17.88 64.48 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 122.975 0.51 . . . . 55.41 111.276 176.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -65.4 -43.51 90.38 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.075 0.95 . . . . 74.54 110.617 169.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.652 ' HG2' ' HB2' ' B' ' 3' ' ' MET . 11.3 mm-40 -74.76 -27.73 60.46 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 115.552 -0.749 . . . . 73.22 111.474 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.501 ' HZ3' HD21 ' B' ' 11' ' ' LEU . 5.9 tmtt? -62.26 -50.9 69.85 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 123.995 0.918 . . . . 73.43 109.109 174.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.11 -43.33 95.7 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.15 0.98 . . . . 64.45 112.052 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.31 -35.79 90.78 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 115.871 -0.604 . . . . 61.52 114.308 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.44 -32.3 71.17 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.371 0.669 . . . . 55.42 112.222 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.501 HD21 ' HZ3' ' B' ' 7' ' ' LYS . 89.8 mt -76.6 -28.21 56.08 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.153 0.581 . . . . 75.44 111.584 175.143 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.89 -55.7 29.47 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.054 1.131 . . . . 74.23 114.054 -174.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.4 -50.75 63.72 Favored Glycine 0 CA--C 1.537 1.449 0 N-CA-C 114.541 0.576 . . . . 71.04 114.541 -176.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -65.03 -36.95 86.0 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.679 0.792 . . . . 63.34 112.997 -178.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.9 -44.74 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 C-N-CA 122.805 0.442 . . . . 74.4 110.471 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -54.7 -45.27 73.98 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.743 0.817 . . . . 75.13 111.094 175.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.02 -25.93 66.53 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.921 0.888 . . . . 74.24 112.291 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.63 -40.21 76.67 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.791 0.436 . . . . 63.31 111.282 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.449 HD21 HG13 ' B' ' 66' ' ' VAL . 9.0 mp -79.37 -17.99 53.32 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.417 0.687 . . . . 52.13 112.121 176.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -67.28 127.09 31.34 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.725 0.41 . . . . 54.51 110.661 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.0 -18.33 46.53 Favored Glycine 0 CA--C 1.538 1.473 0 CA-C-N 116.174 -0.466 . . . . 75.44 112.672 -173.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 24.4 p -112.63 170.96 7.82 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.589 0.756 . . . . 71.21 110.249 174.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -107.29 21.4 17.57 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 122.864 0.466 . . . . 75.44 110.708 174.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.8 142.34 3.7 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-N 116.193 -0.458 . . . . 74.43 114.072 177.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 94.4 mt -137.74 160.8 38.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.443 1.097 . . . . 71.24 110.15 174.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 70.6 p -102.6 162.86 12.58 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.267 0.627 . . . . 64.11 110.509 173.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -59.77 -30.71 69.07 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 113.611 0.967 . . . . 72.32 113.611 -170.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -66.23 -41.49 89.98 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.061 0.944 . . . . 64.0 111.851 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -67.8 -41.66 82.8 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.493 0.717 . . . . 53.23 111.18 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 23.7 mt -72.88 -33.84 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 115.556 -0.747 . . . . 64.24 111.072 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -56.56 -47.34 79.68 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.406 1.083 . . . . 75.21 111.038 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -70.8 -38.84 73.34 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.559 0.744 . . . . 64.33 112.665 175.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.66 -51.46 62.46 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.243 0.617 . . . . 71.0 112.365 -176.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 70.7 p -87.08 -16.84 34.37 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.963 0.905 . . . . 72.13 111.997 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm 60.3 31.97 20.59 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 124.432 1.093 . . . . 74.41 113.035 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.65 152.34 31.04 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.386 0.675 . . . . 61.43 111.668 176.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -69.57 -41.43 75.84 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.042 0.537 . . . . 72.45 112.074 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.05 161.63 36.91 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.584 0.707 . . . . 43.02 112.082 -177.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -71.33 -26.05 62.66 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 115.085 -0.961 . . . . 72.41 110.797 170.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.56 ' HD2' ' HE2' ' A' ' 43' ' ' PHE . 34.2 mmtp -59.84 -45.44 92.4 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.337 1.055 . . . . 70.33 113.328 -178.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -75.87 -33.87 59.99 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.554 0.342 . . . . 61.51 110.342 177.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -54.66 -38.48 66.99 Favored 'General case' 0 CA--C 1.564 1.482 0 C-N-CA 123.693 0.797 . . . . 72.43 112.071 171.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -62.42 -34.69 77.25 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 122.844 0.457 . . . . 64.14 112.11 177.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.43 -36.04 71.14 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.383 0.673 . . . . 70.41 110.619 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLY . . . . . 0.445 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -66.22 -55.62 17.83 Favored Glycine 0 CA--C 1.538 1.515 0 CA-C-N 116.194 -0.457 . . . . 74.43 113.305 178.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.24 -28.66 68.9 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.319 0.647 . . . . 73.22 110.416 178.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.99 -37.8 94.7 Favored Glycine 0 C--N 1.347 1.184 0 CA-C-N 115.665 -0.698 . . . . 70.1 111.705 176.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' TRP . . . . . 0.54 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 33.1 t-105 -69.35 -29.49 67.31 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 122.777 0.431 . . . . 63.25 110.761 175.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.465 HD23 HG11 ' B' ' 55' ' ' VAL . 5.3 mp -64.41 -33.22 75.37 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 122.999 0.519 . . . . 71.42 111.492 171.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.0 mt -69.5 -35.47 75.56 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.56 0.744 . . . . 75.31 112.281 175.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' B' ' 48' ' ' TRP . 1.6 ppt_? -71.73 -29.35 64.44 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 118.172 0.442 . . . . 74.24 110.662 177.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -81.69 -12.3 58.7 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.94 0.896 . . . . 61.22 111.882 175.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 64.18 18.74 11.44 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 125.127 1.371 . . . . 73.41 112.249 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -86.38 -2.22 58.23 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.838 0.681 . . . . 72.04 112.838 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.604 ' HA ' ' H ' ' B' ' 69' ' ' VAL . 33.3 m -138.67 167.03 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 CA-C-O 121.908 0.861 . . . . 51.25 112.427 176.027 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 p -144.95 143.69 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 CA-C-N 114.132 -1.394 . . . . 55.3 109.137 171.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 73.7 p -109.27 149.47 29.39 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.394 0.677 . . . . 53.22 111.488 -170.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 66.7 m -146.84 170.53 16.85 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.495 1.118 . . . . 53.04 110.161 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -117.36 107.04 13.88 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.436 -0.579 . . . . 75.4 109.436 172.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 42.1 t -115.74 116.33 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 123.593 0.757 . . . . 75.2 109.571 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 58.51 31.46 21.03 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.614 1.166 . . . . 72.22 112.804 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.05 8.9 87.23 Favored Glycine 0 CA--C 1.542 1.765 0 N-CA-C 114.562 0.585 . . . . 62.33 114.562 -176.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -103.23 144.08 31.8 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.07 0.948 . . . . 73.05 111.702 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 54.3 mt -72.1 101.14 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-O 121.12 0.486 . . . . 72.52 109.715 170.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -103.26 101.68 11.62 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 123.941 0.896 . . . . 64.25 110.315 -174.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.449 HG13 HD21 ' B' ' 19' ' ' LEU . 7.4 p -106.17 138.81 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 123.721 0.808 . . . . 63.53 110.088 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.541 ' HG3' HD22 ' B' ' 70' ' ' LEU . 0.0 OUTLIER -145.09 149.46 35.1 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 112.236 0.458 . . . . 75.31 112.236 -173.629 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.439 HD23 HG12 ' B' ' 55' ' ' VAL . 42.7 mt -71.06 78.08 0.67 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.557 0.743 . . . . 72.15 112.251 -175.267 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.604 ' H ' ' HA ' ' B' ' 55' ' ' VAL . 13.6 p 28.84 62.09 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 C-N-CA 126.442 1.897 . . . . 65.25 113.223 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.541 HD22 ' HG3' ' B' ' 67' ' ' LYS . 1.5 pt? -66.1 122.75 18.13 Favored 'General case' 0 CA--C 1.557 1.25 0 CA-C-N 114.392 -1.276 . . . . 70.1 113.321 -163.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -73.56 -10.99 60.28 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 115.636 -0.711 . . . . 75.21 110.574 164.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -66.2 106.39 1.65 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.737 1.215 . . . . 72.44 109.939 172.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -71.43 85.02 0.82 Allowed 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.516 0.674 . . . . 71.43 111.47 -175.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -79.52 -16.75 55.45 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 124.525 1.13 . . . . 70.3 111.235 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -70.86 95.15 1.12 Allowed 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 124.2 1.0 . . . . 71.5 110.244 174.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -119.85 145.09 46.97 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.912 0.885 . . . . 61.11 110.945 176.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 22.9 t60 . . . . . 0 N--CA 1.483 1.199 0 CA-C-O 121.824 0.821 . . . . 62.33 109.317 178.401 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.363 -0.606 . . . . 74.3 109.363 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -80.55 81.8 6.72 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 122.33 1.062 . . . . 74.14 111.034 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.55 141.32 35.22 Favored 'General case' 0 CA--C 1.561 1.401 0 C-N-CA 123.499 0.72 . . . . 73.11 110.089 -176.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.401 HD22 ' HD2' ' A' ' 7' ' ' LYS . 2.1 tm? -61.78 -33.66 74.5 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 123.652 0.781 . . . . 62.34 109.967 178.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -67.71 -36.76 81.2 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.548 0.739 . . . . 74.24 111.416 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -68.49 -42.5 78.54 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.763 0.653 . . . . 72.42 112.763 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -66.99 -41.83 86.07 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 117.58 0.173 . . . . 72.2 111.347 177.794 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.78 87.01 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.34 0.656 . . . . 75.03 111.181 177.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.44 -38.09 79.65 Favored Glycine 0 CA--C 1.536 1.395 0 CA-C-N 115.081 -0.963 . . . . 74.23 113.795 175.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.37 -51.4 60.69 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.619 0.768 . . . . 34.44 111.713 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 67.2 mt -61.01 -32.94 72.52 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.984 0.914 . . . . 63.21 111.216 178.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -60.29 -40.72 91.47 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.778 0.831 . . . . 52.21 113.152 177.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.83 -49.85 74.08 Favored Glycine 0 CA--C 1.535 1.334 0 CA-C-N 115.944 -0.571 . . . . 71.23 114.339 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -68.6 -36.79 79.17 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.153 0.581 . . . . 72.42 112.11 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.565 HG23 HG21 ' A' ' 30' ' ' ILE . 74.9 mt -64.65 -44.86 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 C-N-CA 123.077 0.551 . . . . 42.41 111.391 178.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -61.53 -45.91 92.21 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.017 0.527 . . . . 75.4 111.465 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -65.15 -39.46 93.02 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 123.808 0.843 . . . . 64.22 110.795 -176.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.33 -33.32 75.69 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.384 0.674 . . . . 73.42 111.974 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.0 mt -85.67 -15.37 42.56 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.887 0.875 . . . . 70.01 112.281 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -66.76 119.22 11.45 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 122.738 0.415 . . . . 55.24 111.554 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.45 12.29 83.94 Favored Glycine 0 CA--C 1.54 1.635 0 CA-C-N 115.827 -0.624 . . . . 70.13 113.864 -173.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.605 HG22 ' H ' ' A' ' 24' ' ' GLY . 15.1 m -106.33 147.11 29.58 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.583 0.753 . . . . 54.54 110.459 178.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.24 -33.38 70.95 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 123.6 0.76 . . . . 73.41 111.997 174.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.605 ' H ' HG22 ' A' ' 22' ' ' THR . . . 140.97 141.98 4.07 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-N 115.276 -0.875 . . . . 63.24 110.928 -174.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 95.2 mt -129.04 151.64 49.51 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 117.704 0.752 . . . . 73.12 110.434 -178.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.0 p -74.2 164.15 26.97 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 110.3 -0.259 . . . . 70.22 110.3 173.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.482 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 20.3 pt20 -54.07 -33.49 57.66 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.206 0.603 . . . . 73.01 112.349 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 53.6 mtpt -69.04 -47.23 65.91 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.001 0.921 . . . . 71.25 112.204 174.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.463 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 86.6 mm-40 -65.04 -41.39 95.25 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.662 0.785 . . . . 64.32 112.83 -176.057 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.565 HG21 HG23 ' A' ' 15' ' ' ILE . 70.2 mt -60.82 -47.18 94.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.252 0.621 . . . . 64.34 111.453 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 27' ' ' GLN . 32.5 mtmm -62.35 -26.55 68.51 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 112.998 0.74 . . . . 73.35 112.998 -176.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -69.79 -50.48 42.62 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-O 120.481 0.181 . . . . 71.24 110.53 173.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.43 -33.12 75.21 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.47 0.708 . . . . 62.14 112.708 -177.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.4 p -88.74 -18.71 27.23 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.266 1.026 . . . . 73.01 112.168 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm 69.16 35.89 2.57 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 125.184 1.394 . . . . 74.03 111.448 -177.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt -71.95 160.59 32.26 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.387 0.675 . . . . 71.42 111.687 171.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -89.34 -52.6 4.96 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.418 0.687 . . . . 73.04 111.972 -176.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.88 163.54 32.37 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.438 0.695 . . . . 54.34 111.393 -170.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -64.08 -27.31 69.01 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 116.077 -0.51 . . . . 72.15 111.419 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -53.66 -50.79 65.02 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.428 1.091 . . . . 70.33 113.138 177.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -74.45 -29.98 61.7 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.778 0.431 . . . . 63.32 111.092 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -59.53 -39.2 83.12 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.895 0.478 . . . . 74.22 111.956 172.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -63.37 -31.83 73.1 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 123.123 0.569 . . . . 71.33 112.021 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -74.16 -40.9 62.26 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.248 0.619 . . . . 74.33 111.339 174.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.426 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -65.36 -58.38 9.6 Favored Glycine 0 C--N 1.352 1.419 0 O-C-N 123.14 0.275 . . . . 64.12 113.202 176.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.0 tp -57.9 -35.59 71.25 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.121 0.968 . . . . 65.42 112.155 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.38 -31.73 81.84 Favored Glycine 0 N--CA 1.477 1.407 0 CA-C-O 121.362 0.423 . . . . 73.51 112.298 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.488 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 39.0 t-105 -71.9 -40.28 68.98 Favored 'General case' 0 CA--C 1.558 1.267 0 CA-C-N 115.204 -0.498 . . . . 64.22 110.242 171.381 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.69 HD23 HG11 ' A' ' 55' ' ' VAL . 6.4 mp -58.03 -31.0 66.58 Favored 'General case' 0 N--CA 1.499 1.985 0 C-N-CA 123.33 0.652 . . . . 71.31 111.978 174.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.0 mt -67.59 -44.95 76.92 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.231 0.612 . . . . 74.33 111.324 174.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HG3' ' HA ' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -73.66 -18.54 61.01 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 111.914 0.338 . . . . 61.24 111.914 177.144 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -83.71 -17.98 39.48 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.851 0.86 . . . . 72.31 111.201 174.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 63.72 17.73 10.65 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 125.022 1.329 . . . . 72.14 112.672 176.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -99.53 9.41 43.26 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.671 0.788 . . . . 62.25 112.37 -173.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.69 HG11 HD23 ' A' ' 49' ' ' LEU . 29.4 m -134.74 161.7 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 N-CA-C 113.409 0.892 . . . . 72.22 113.409 174.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.1 p -143.13 132.75 21.34 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 CA-C-N 114.153 -1.385 . . . . 73.45 109.508 167.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 60.1 p -110.06 131.19 55.28 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 121.06 0.457 . . . . 73.54 111.251 -169.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.532 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 14.9 m -85.9 143.97 27.92 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.23 1.012 . . . . 71.23 109.723 173.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -96.55 103.05 14.93 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 109.237 -0.653 . . . . 64.24 109.237 174.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.6 t -109.64 105.01 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 116.006 -0.543 . . . . 64.45 109.571 178.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 42.4 45.52 3.79 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 125.41 1.484 . . . . 74.52 114.51 177.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.3 8.39 83.6 Favored Glycine 0 CA--C 1.542 1.741 0 N-CA-C 115.065 0.786 . . . . 45.3 115.065 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -113.68 145.22 41.66 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.312 1.045 . . . . 71.12 111.138 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.3 mt -82.3 124.42 39.22 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 123.54 0.736 . . . . 73.44 109.986 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.532 ' HB3' ' HB2' ' A' ' 58' ' ' SER . 73.6 t80 -119.22 103.36 9.44 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.031 0.932 . . . . 75.33 108.953 176.184 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.1 t -94.33 131.61 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 O-C-N 121.571 -0.706 . . . . 60.22 111.496 -168.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -123.98 148.51 46.89 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.512 0.725 . . . . 74.31 109.068 175.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.446 HD23 HG12 ' A' ' 55' ' ' VAL . 38.8 mt -85.0 141.02 30.61 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 118.096 0.407 . . . . 60.11 111.304 175.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.8 t -64.7 120.57 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 C-N-CA 123.155 0.582 . . . . 75.21 109.451 167.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 78.4 mt -69.7 90.18 0.57 Allowed 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 121.106 0.479 . . . . 74.13 112.076 -173.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -77.22 -51.73 10.44 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.873 0.869 . . . . 63.54 109.979 173.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -135.73 179.77 6.14 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.09 0.956 . . . . 60.11 110.449 177.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -126.63 160.14 31.58 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.346 0.659 . . . . 71.44 111.895 -175.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -131.08 145.93 52.18 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.871 0.868 . . . . 61.22 110.874 -178.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -84.34 -16.23 43.66 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.076 0.55 . . . . 62.3 111.062 168.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -123.44 -156.57 0.71 Allowed 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 124.53 1.132 . . . . 65.24 109.333 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 121.666 0.745 . . . . 73.24 110.721 177.598 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.4 mtt . . . . . 0 CA--C 1.549 0.922 0 CA-C-O 120.823 0.345 . . . . 72.2 111.181 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -138.31 88.35 2.3 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.799 0.84 . . . . 74.14 110.35 -179.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.478 ' HG3' ' H ' ' B' ' 5' ' ' LYS . 11.5 tpt -162.84 151.48 14.52 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-O 121.249 0.547 . . . . 63.11 112.069 -172.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 mp -56.89 -43.06 80.94 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.768 0.827 . . . . 70.42 110.938 172.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.514 ' HZ3' ' HH2' ' B' ' 48' ' ' TRP . 24.5 ttmm -56.47 -44.84 80.98 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.123 0.969 . . . . 74.15 112.138 171.118 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -57.86 -55.91 28.81 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.036 0.934 . . . . 73.41 111.886 -175.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -34.19 77.65 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.087 -0.506 . . . . 71.14 111.828 177.381 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.08 92.41 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 123.908 0.883 . . . . 61.11 112.472 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.54 -39.58 90.96 Favored Glycine 0 CA--C 1.534 1.268 0 CA-C-N 116.06 -0.518 . . . . 34.25 113.567 177.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.1 75.17 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.341 0.657 . . . . 34.02 111.769 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 69.7 mt -74.85 -31.85 61.74 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.786 0.835 . . . . 63.45 111.753 175.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.44 -53.46 50.96 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.768 0.827 . . . . 53.21 113.018 -177.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.83 -31.49 76.05 Favored Glycine 0 CA--C 1.54 1.618 0 CA-C-N 115.752 -0.658 . . . . 64.5 114.309 176.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -74.14 -49.62 22.95 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.441 0.697 . . . . 75.51 112.018 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.13 -38.01 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 C-N-CA 123.368 0.667 . . . . 75.13 110.264 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -58.65 -48.3 81.52 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.91 0.884 . . . . 75.04 110.653 173.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.77 -39.2 87.91 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.224 1.01 . . . . 72.02 111.786 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.89 -33.39 75.6 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.302 0.641 . . . . 71.33 111.809 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 90.6 mt -86.5 -20.16 28.47 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.802 0.841 . . . . 62.31 112.473 177.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -68.19 119.62 13.05 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.637 0.375 . . . . 52.21 110.83 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.99 7.37 70.56 Favored Glycine 0 CA--C 1.538 1.494 0 N-CA-C 114.617 0.607 . . . . 72.21 114.617 -177.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 53.8 p -117.33 165.2 13.76 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.412 0.685 . . . . 72.43 110.815 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -84.59 -10.28 57.53 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.398 0.679 . . . . 73.54 110.572 173.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.02 145.6 4.7 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 115.936 -0.575 . . . . 54.21 112.281 -176.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 90.7 mt -133.34 159.4 40.38 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.456 0.702 . . . . 73.34 110.735 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 42.5 p -84.83 161.6 19.87 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.253 0.621 . . . . 75.23 110.809 174.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -54.13 -37.79 64.74 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.556 0.742 . . . . 64.33 112.789 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -60.32 -52.61 64.54 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.742 0.817 . . . . 72.53 112.294 174.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -70.73 -31.93 68.94 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 112.854 0.686 . . . . 74.55 112.854 -172.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.73 -41.84 93.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.137 0.575 . . . . 72.02 111.286 176.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -59.63 -31.41 69.48 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 112.434 0.531 . . . . 62.33 112.434 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.55 -52.02 55.53 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 109.434 -0.58 . . . . 74.51 109.434 176.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.02 -29.34 66.37 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.991 0.737 . . . . 71.21 112.991 -175.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 69.9 p -83.45 -17.86 40.63 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.637 0.775 . . . . 52.2 112.795 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? 72.89 39.33 0.66 Allowed 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 124.758 1.223 . . . . 74.22 109.011 -174.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 93.9 mt -103.44 -177.97 3.53 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.492 1.117 . . . . 71.21 110.784 167.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -148.92 -28.02 0.29 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.674 0.79 . . . . 73.22 111.304 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.26 130.87 45.58 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.706 0.802 . . . . 74.14 111.191 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.18 -22.99 65.25 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.794 0.837 . . . . 54.41 111.68 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -50.67 -54.52 22.34 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.914 1.285 . . . . 73.25 113.071 174.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.38 -33.06 73.58 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.532 0.733 . . . . 73.43 110.744 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -62.34 -41.74 98.82 Favored 'General case' 0 CA--C 1.562 1.409 0 CA-C-N 115.431 -0.804 . . . . 71.22 112.07 175.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -65.31 -40.44 93.77 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 122.722 0.409 . . . . 74.03 111.814 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -74.09 -28.71 61.5 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 122.97 0.508 . . . . 71.01 111.697 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLY . . . . . 0.496 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -72.63 -63.43 2.89 Favored Glycine 0 C--N 1.353 1.514 0 N-CA-C 112.771 -0.132 . . . . 54.04 112.771 173.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 50.2 tp -53.02 -43.6 66.68 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.94 1.296 . . . . 71.2 113.044 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.99 -30.97 79.43 Favored Glycine 0 N--CA 1.476 1.343 0 CA-C-N 115.87 -0.605 . . . . 64.33 113.101 -176.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' TRP . . . . . 0.514 ' HH2' ' HZ3' ' B' ' 5' ' ' LYS . 32.1 t-105 -69.12 -33.66 73.82 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 123.563 0.745 . . . . 73.33 111.08 175.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.496 HD13 ' O ' ' B' ' 45' ' ' GLY . 3.7 mp -68.25 -29.06 67.78 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.706 0.803 . . . . 73.24 111.536 177.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.589 HD21 HG23 ' B' ' 57' ' ' THR . 96.6 mt -65.09 -34.95 79.64 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.721 0.809 . . . . 54.02 111.999 175.167 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' B' ' 48' ' ' TRP . 7.2 ptt180 -65.85 -34.53 78.36 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.191 0.52 . . . . 64.21 111.582 179.072 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -92.87 -8.3 43.81 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.738 0.815 . . . . 74.55 111.688 178.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 62.23 31.45 17.56 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 124.491 1.117 . . . . 75.53 112.344 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.437 ' HE3' ' HG ' ' B' ' 49' ' ' LEU . 48.0 mtmt -79.91 -16.89 54.39 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.602 0.761 . . . . 63.13 111.294 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.517 HG12 HD23 ' B' ' 68' ' ' LEU . 33.7 m -134.74 164.11 34.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 123.761 0.824 . . . . 74.21 111.298 179.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.2 p -133.32 133.87 57.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-N 115.004 -0.998 . . . . 63.3 109.549 173.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' THR . . . . . 0.658 ' HA ' HG12 ' B' ' 66' ' ' VAL . 60.9 p -104.4 143.79 32.52 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.94 0.896 . . . . 72.42 111.474 -169.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 34.3 t -146.35 166.6 25.83 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.523 0.729 . . . . 64.44 110.693 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -112.99 104.97 12.93 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.912 0.885 . . . . 64.44 109.887 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 48.5 t -121.54 122.44 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 123.543 0.737 . . . . 75.04 111.202 -176.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 51.64 37.12 19.1 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.336 1.454 . . . . 71.42 113.867 172.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.61 -3.88 68.73 Favored Glycine 0 CA--C 1.536 1.392 0 N-CA-C 115.34 0.896 . . . . 44.14 115.34 174.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -138.68 174.35 10.62 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.38 1.09 . . . . 70.53 112.38 177.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 55.0 mt -79.56 122.42 34.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 C-N-CA 123.602 0.761 . . . . 74.55 111.346 -173.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -121.25 118.97 30.93 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.339 1.056 . . . . 62.41 109.008 177.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.658 HG12 ' HA ' ' B' ' 57' ' ' THR . 32.6 m -130.84 160.93 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.739 0.816 . . . . 75.52 111.424 -170.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.63 162.93 40.52 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 122.737 0.415 . . . . 42.4 110.821 177.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.517 HD23 HG12 ' B' ' 55' ' ' VAL . 63.5 mt -69.22 135.73 50.98 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.744 0.418 . . . . 61.15 111.414 178.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 98.9 t -74.8 83.02 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 N-CA-C 109.825 -0.435 . . . . 72.21 109.825 171.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 92.5 mt -65.2 -16.93 64.05 Favored 'General case' 0 CA--C 1.559 1.293 0 O-C-N 121.985 -0.447 . . . . 64.22 111.271 176.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.32 -23.71 57.38 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 125.198 1.399 . . . . 64.43 113.446 175.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -62.15 -17.39 57.79 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 112.573 0.583 . . . . 71.21 112.573 175.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -122.22 65.99 0.93 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.831 0.852 . . . . 72.22 109.255 166.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -63.71 96.15 0.12 Allowed 'General case' 0 CA--C 1.557 1.236 0 CA-C-N 115.782 -0.645 . . . . 73.21 110.399 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -85.2 105.75 16.12 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.987 0.915 . . . . 74.21 110.869 -174.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -96.12 129.56 43.38 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.365 0.666 . . . . 74.13 110.276 177.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 N--CA 1.482 1.148 0 C-N-CA 123.776 0.83 . . . . 70.14 111.848 -179.556 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.8 mtp . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 120.431 0.157 . . . . 61.24 111.14 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -116.64 -16.65 10.7 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.13 0.572 . . . . 75.41 111.471 175.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 85.2 mtp -73.18 172.22 11.52 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.652 0.781 . . . . 75.25 112.782 -175.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.42 -13.83 33.93 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 113.075 0.769 . . . . 72.42 113.075 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -60.99 -41.33 96.26 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.625 0.77 . . . . 74.03 111.308 168.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -68.21 -38.38 81.88 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 124.166 0.987 . . . . 73.04 111.599 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.487 ' HZ3' HD21 ' A' ' 11' ' ' LEU . 10.4 tmtt? -66.3 -50.45 63.61 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.668 0.787 . . . . 54.4 109.823 178.321 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.37 -34.03 74.63 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.853 0.861 . . . . 64.22 111.952 175.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.29 -32.57 76.16 Favored Glycine 0 CA--C 1.543 1.831 0 CA-C-N 116.067 -0.515 . . . . 61.23 114.36 174.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.37 -38.93 71.53 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.226 0.61 . . . . 65.2 111.136 174.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.487 HD21 ' HZ3' ' A' ' 7' ' ' LYS . 74.3 mt -64.29 -36.28 83.59 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.235 -0.893 . . . . 75.41 110.942 172.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -63.57 -46.6 85.16 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.454 0.701 . . . . 73.41 112.504 177.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.41 -48.22 87.05 Favored Glycine 0 CA--C 1.535 1.31 0 O-C-N 123.91 0.756 . . . . 32.42 114.102 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -67.16 -35.72 80.3 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 123.325 0.65 . . . . 64.42 112.438 -179.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.0 mt -72.74 -42.1 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.322 0.649 . . . . 74.12 111.158 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 71.6 t90 -64.62 -49.34 71.46 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.269 0.628 . . . . 73.01 110.42 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -68.53 -23.07 64.49 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.522 0.729 . . . . 75.23 112.577 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.03 -34.89 79.04 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.989 -0.444 . . . . 62.13 111.534 171.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.611 HD11 HG12 ' A' ' 30' ' ' ILE . 8.4 mp -102.34 -9.65 20.16 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 114.088 1.144 . . . . 73.24 114.088 -177.324 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -65.37 127.16 30.65 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 119.745 1.157 . . . . 75.33 111.599 -176.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.42 20.2 57.17 Favored Glycine 0 CA--C 1.543 1.794 0 CA-C-N 116.094 -0.503 . . . . 63.4 113.978 -173.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.2 p -131.07 174.61 9.85 Favored 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 123.411 0.684 . . . . 74.54 110.605 176.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -13.08 50.07 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.756 0.822 . . . . 54.02 112.606 176.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.61 142.81 5.73 Favored Glycine 0 C--N 1.352 1.449 0 N-CA-C 113.642 0.217 . . . . 55.23 113.642 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.479 HD23 ' HG ' ' A' ' 19' ' ' LEU . 3.3 mm? -126.66 167.25 15.96 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 124.068 0.947 . . . . 65.23 111.191 -178.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.6 p -91.93 169.64 10.51 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.033 0.533 . . . . 63.12 110.84 174.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -55.33 -33.02 62.99 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.367 0.667 . . . . 63.41 111.972 177.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -56.29 -52.08 65.84 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.61 0.764 . . . . 64.53 112.422 175.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.461 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 1.8 mp0 -67.74 -39.05 84.25 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.948 0.499 . . . . 73.31 111.414 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.611 HG12 HD11 ' A' ' 19' ' ' LEU . 64.1 mt -64.77 -44.85 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.011 0.525 . . . . 53.53 110.803 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -66.94 -32.59 73.94 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.024 0.93 . . . . 75.44 111.624 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -68.85 -46.62 68.02 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.204 0.602 . . . . 75.01 110.08 176.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.68 -50.1 59.44 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.441 0.696 . . . . 60.01 111.938 -177.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 79.5 p -73.37 -24.6 60.34 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.217 1.007 . . . . 75.24 111.891 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt 66.51 29.0 9.28 Favored 'General case' 0 CA--C 1.57 1.733 0 C-N-CA 124.908 1.283 . . . . 71.2 110.833 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 pp -76.67 162.14 27.96 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.914 -0.491 . . . . 62.33 111.737 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -103.8 -58.19 1.92 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.1 0.56 . . . . 72.13 111.621 -175.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.79 147.69 22.8 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 121.221 0.534 . . . . 70.04 112.263 -171.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -59.83 -33.06 71.27 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.643 -0.708 . . . . 64.43 110.489 168.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -55.88 -53.16 60.21 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.231 1.412 . . . . 64.41 113.831 -175.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -73.3 -27.52 61.59 Favored 'General case' 0 N--CA 1.483 1.225 0 CA-C-O 120.713 0.292 . . . . 72.02 110.718 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -59.02 -41.25 87.33 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 123.013 0.525 . . . . 73.21 111.241 170.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.62 -32.52 73.28 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 112.549 0.574 . . . . 74.42 112.549 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -71.77 -31.49 66.69 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 122.503 0.321 . . . . 71.03 111.29 174.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.437 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -75.06 -62.3 2.81 Favored Glycine 0 C--N 1.353 1.483 0 CA-C-N 116.619 -0.264 . . . . 44.33 113.246 175.022 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.568 HD11 HG21 ' A' ' 66' ' ' VAL . 58.5 tp -59.6 -33.55 71.61 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.271 1.029 . . . . 63.35 112.168 177.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.21 -31.23 74.3 Favored Glycine 0 N--CA 1.472 1.079 0 CA-C-N 115.821 -0.627 . . . . 62.32 112.322 176.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.597 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 29.1 t-105 -70.34 -33.61 71.68 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 122.613 0.365 . . . . 63.12 110.318 172.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 45' ' ' GLY . 6.8 mp -65.51 -33.02 74.96 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.088 0.555 . . . . 74.33 111.528 173.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.3 mt -68.49 -43.21 77.36 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.534 0.733 . . . . 73.21 111.372 173.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.939 ' HB2' ' HB3' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -73.52 -18.43 61.09 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 120.857 0.36 . . . . 70.53 111.886 179.033 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.505 ' HB3' ' NZ ' ' A' ' 54' ' ' LYS . 45.2 mm-40 -93.0 -6.31 48.66 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.987 0.915 . . . . 61.13 112.144 173.423 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 63.35 13.44 7.05 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 125.001 1.32 . . . . 65.1 112.923 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.505 ' NZ ' ' HB3' ' A' ' 52' ' ' GLU . 28.1 mtmm -95.16 16.68 15.87 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.585 0.754 . . . . 75.53 112.855 -174.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.421 HG12 HD23 ' A' ' 68' ' ' LEU . 17.4 m -138.13 153.84 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 113.786 1.032 . . . . 74.22 113.786 170.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.7 t -113.17 124.67 70.04 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-N 114.11 -1.405 . . . . 62.51 108.638 163.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.5 p -103.2 150.62 23.52 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.19 0.596 . . . . 63.14 111.774 -175.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.8 t -158.29 172.78 17.75 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.573 1.149 . . . . 43.43 110.325 -175.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -121.97 123.31 41.37 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.979 0.512 . . . . 72.0 110.995 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.3 t -114.92 114.11 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 123.907 0.883 . . . . 74.24 110.174 171.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 58.45 35.69 24.88 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 124.484 1.114 . . . . 64.51 112.934 173.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.91 9.9 86.22 Favored Glycine 0 N--CA 1.481 1.648 0 N-CA-C 114.152 0.421 . . . . 62.4 114.152 -177.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -114.02 144.78 42.55 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.963 0.905 . . . . 72.13 110.373 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.7 mt -70.93 106.24 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 122.883 0.473 . . . . 72.53 110.763 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -100.88 137.68 38.94 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.083 0.953 . . . . 73.21 109.49 174.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.568 HG21 HD11 ' A' ' 46' ' ' LEU . 9.5 p -140.81 152.3 20.58 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 O-C-N 122.081 -0.387 . . . . 75.13 111.459 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.44 146.9 48.69 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.403 0.681 . . . . 53.33 109.894 176.091 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.421 HD23 HG12 ' A' ' 55' ' ' VAL . 45.0 mt -82.82 136.48 34.63 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 112.446 0.535 . . . . 74.22 112.446 -177.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.9 t -70.34 107.88 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 N-CA-C 107.645 -1.243 . . . . 72.42 107.645 157.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.55 ' H ' HD23 ' A' ' 70' ' ' LEU . 1.8 pt? -57.81 99.13 0.04 OUTLIER 'General case' 0 CA--C 1.561 1.371 0 CA-C-O 122.01 0.909 . . . . 65.25 112.359 -172.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -85.28 157.06 20.68 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.361 1.064 . . . . 75.11 110.038 175.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.2 m170 -68.44 159.04 32.41 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 122.759 0.424 . . . . 75.0 111.164 172.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -64.38 -24.21 67.56 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.073 0.549 . . . . 74.32 111.343 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -96.78 90.3 5.22 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 109.059 -0.719 . . . . 72.31 109.059 165.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -69.68 173.98 5.58 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.84 0.856 . . . . 74.3 112.423 178.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -87.96 155.47 19.82 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.196 0.598 . . . . 73.13 110.386 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 . . . . . 0 N--CA 1.488 1.459 0 CA-C-O 121.227 0.536 . . . . 71.32 110.846 -178.041 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mmm . . . . . 0 CA--C 1.549 0.94 0 CA-C-O 121.033 0.444 . . . . 63.44 111.251 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -77.82 -29.66 50.73 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.964 0.906 . . . . 74.13 112.353 -175.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 95.7 mmm -57.49 141.71 46.7 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.547 0.944 . . . . 63.22 113.547 -175.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.26 -17.11 64.23 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.717 0.807 . . . . 73.52 111.868 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -68.59 -43.54 76.27 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.833 0.853 . . . . 74.11 111.181 171.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -69.27 -33.32 73.04 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 115.838 -0.619 . . . . 75.3 110.876 177.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -63.61 -44.19 94.69 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 124.364 1.066 . . . . 62.53 110.303 172.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.07 -36.09 78.68 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 123.61 0.764 . . . . 53.53 111.846 173.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.71 -34.59 78.44 Favored Glycine 0 C--N 1.352 1.44 0 CA-C-N 115.883 -0.599 . . . . 74.32 113.41 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.91 -38.56 91.38 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.293 0.637 . . . . 73.01 111.007 175.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 69.4 mt -66.86 -41.26 87.62 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.253 -0.885 . . . . 73.51 111.018 174.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.06 -46.06 82.75 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.584 0.753 . . . . 72.24 112.793 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.89 -52.71 50.65 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-N 115.826 -0.624 . . . . 60.02 114.358 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -66.33 -40.54 89.95 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.178 0.591 . . . . 75.14 112.26 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.465 HD12 ' HA3' ' B' ' 45' ' ' GLY . 97.1 mt -65.17 -42.73 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 123.39 0.676 . . . . 73.2 111.081 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' TRP . . . . . 0.403 ' CD1' ' HD3' ' B' ' 54' ' ' LYS . 81.1 t90 -61.07 -39.66 90.74 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 116.554 -0.294 . . . . 74.34 111.244 175.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.44 -25.55 66.79 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 112.854 0.687 . . . . 75.24 112.854 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.33 -36.37 83.85 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 121.021 0.438 . . . . 72.32 110.66 169.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.528 HD21 HG23 ' B' ' 66' ' ' VAL . 9.2 mp -85.61 -18.52 33.06 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.952 0.901 . . . . 75.51 112.564 177.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -64.33 122.03 15.72 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.665 0.786 . . . . 75.5 111.701 -174.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.87 -28.19 17.14 Favored Glycine 0 CA--C 1.536 1.373 0 CA-C-N 116.033 -0.53 . . . . 75.15 112.886 -174.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.2 m -101.26 172.45 6.99 Favored 'General case' 0 CA--C 1.564 1.493 0 C-N-CA 124.174 0.99 . . . . 60.35 109.767 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -106.17 -1.08 24.07 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.158 0.583 . . . . 62.43 112.105 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.89 132.36 1.33 Allowed Glycine 0 C--N 1.36 1.896 0 N-CA-C 114.298 0.479 . . . . 65.03 114.298 -173.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' B' ' 19' ' ' LEU . 7.4 mp -128.17 161.1 30.07 Favored 'General case' 0 N--CA 1.5 2.029 0 C-N-CA 124.055 0.942 . . . . 73.42 110.844 176.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 27.7 p -86.12 158.93 19.67 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 116.243 -0.435 . . . . 74.34 109.884 170.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -55.8 -42.84 76.21 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.257 0.623 . . . . 72.44 111.503 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -59.2 -41.36 88.35 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.664 0.786 . . . . 64.32 112.141 177.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -65.48 -41.8 92.92 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.453 0.701 . . . . 72.14 111.517 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.6 mt -67.02 -45.9 85.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 115.41 -0.813 . . . . 64.45 110.72 -178.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.471 ' HA ' HD23 ' B' ' 36' ' ' LEU . 9.3 mtpm? -61.22 -28.22 69.0 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.89 0.876 . . . . 61.43 111.964 177.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -70.27 -47.29 61.9 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 123.078 0.551 . . . . 71.33 111.469 171.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.64 -45.9 67.41 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.416 0.686 . . . . 34.12 112.784 -175.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 10.9 p -82.37 -19.05 39.96 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.401 1.08 . . . . 75.11 112.308 178.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt 60.46 56.66 3.06 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.006 0.923 . . . . 73.52 112.06 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.53 HD12 ' HB2' ' B' ' 41' ' ' ASP . 2.4 pt? -121.74 140.67 52.03 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 115.946 -0.57 . . . . 72.04 110.685 175.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -84.98 -48.78 8.91 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.477 0.711 . . . . 64.22 110.783 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.73 118.89 13.16 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-O 121.324 0.583 . . . . 63.02 112.404 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.66 -27.05 68.4 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.025 0.93 . . . . 74.33 110.988 171.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.401 ' O ' HD13 ' B' ' 44' ' ' LEU . 72.0 mmtt -54.8 -50.71 67.86 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.904 1.281 . . . . 34.43 111.901 -177.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.53 ' HB2' HD12 ' B' ' 36' ' ' LEU . 5.8 m-20 -63.27 -30.68 71.78 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.664 0.786 . . . . 60.35 112.003 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -61.47 -45.52 93.9 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.61 0.364 . . . . 54.41 110.889 172.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -67.51 -38.35 84.16 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.056 0.542 . . . . 73.33 111.932 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.401 HD13 ' O ' ' B' ' 40' ' ' LYS . 9.4 mp -63.82 -47.34 81.2 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.704 0.802 . . . . 70.31 111.362 177.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLY . . . . . 0.474 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -66.39 -43.65 92.16 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-N 116.173 -0.467 . . . . 55.24 113.143 176.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.16 -31.95 73.23 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.068 0.947 . . . . 61.42 111.62 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.0 -31.38 72.39 Favored Glycine 0 N--CA 1.472 1.052 0 CA-C-N 115.721 -0.672 . . . . 51.23 112.223 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' TRP . . . . . 0.51 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 26.5 t-105 -72.03 -36.53 69.7 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.209 0.604 . . . . 64.54 110.499 173.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.561 HD23 HG11 ' B' ' 55' ' ' VAL . 5.5 mp -63.07 -30.4 71.57 Favored 'General case' 0 CA--C 1.57 1.717 0 C-N-CA 123.155 0.582 . . . . 75.22 111.452 173.287 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.0 mt -69.89 -36.69 75.65 Favored 'General case' 0 CA--C 1.566 1.566 0 N-CA-C 113.548 0.944 . . . . 74.22 113.548 175.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.939 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 14.4 ptm180 -70.97 -33.25 70.26 Favored 'General case' 0 N--CA 1.504 2.23 0 CA-C-N 119.09 0.859 . . . . 75.02 111.803 177.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -79.99 -18.94 48.98 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 115.612 -0.722 . . . . 72.33 110.665 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 34.6 t70 69.82 18.53 7.36 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.214 1.406 . . . . 61.43 111.122 175.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.403 ' HD3' ' CD1' ' B' ' 16' ' ' TRP . 2.5 ptpp? -79.93 -8.73 59.49 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 115.632 -0.713 . . . . 73.35 112.125 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.561 HG11 HD23 ' B' ' 49' ' ' LEU . 22.3 m -132.46 163.65 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-O 121.934 0.873 . . . . 72.34 112.303 177.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.555 HG13 HG22 ' B' ' 69' ' ' VAL . 19.9 m -129.92 142.05 44.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 114.116 -1.402 . . . . 74.04 108.995 168.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 47.1 p -101.4 139.62 36.81 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.14 0.576 . . . . 64.15 110.777 -177.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 68.8 m -147.83 171.41 15.76 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.172 0.989 . . . . 75.15 110.656 -176.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -123.13 121.7 36.64 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.742 0.817 . . . . 65.23 109.565 176.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 35.5 t -119.96 113.35 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.894 0.878 . . . . 74.53 110.04 174.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 51.3 44.98 28.57 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 125.421 1.488 . . . . 70.52 113.837 172.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.35 3.5 88.61 Favored Glycine 0 CA--C 1.539 1.561 0 CA-C-N 115.701 -0.681 . . . . 70.23 114.519 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -119.18 147.8 43.81 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.115 0.966 . . . . 75.22 110.887 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 57.8 mt -68.04 124.35 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 123.096 0.558 . . . . 74.31 109.951 174.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -128.46 114.39 16.74 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.458 0.703 . . . . 73.03 109.832 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.528 HG23 HD21 ' B' ' 19' ' ' LEU . 32.6 m -115.24 138.68 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 122.992 0.517 . . . . 61.32 111.096 -177.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -120.9 160.69 22.94 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.372 0.669 . . . . 54.3 110.967 -174.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.461 HD23 HG12 ' B' ' 55' ' ' VAL . 89.1 mt -86.24 44.47 1.14 Allowed 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 122.878 0.471 . . . . 73.54 111.754 176.019 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.555 HG22 HG13 ' B' ' 56' ' ' VAL . 11.5 t 55.9 34.67 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 C-N-CA 124.805 1.242 . . . . 64.14 110.375 -173.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 93.8 mt -124.75 138.5 54.28 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 115.451 -0.795 . . . . 75.31 111.518 -175.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -169.75 162.53 9.64 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.734 1.213 . . . . 74.33 109.663 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 -110.41 30.75 6.49 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 112.709 0.633 . . . . 70.44 112.709 -175.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -154.7 110.61 3.18 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.267 0.627 . . . . 74.34 111.515 174.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.82 80.46 0.88 Allowed 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 122.085 0.945 . . . . 75.22 112.218 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.04 98.34 3.06 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 124.662 1.185 . . . . 74.11 113.041 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -88.62 -31.33 18.63 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.198 0.599 . . . . 74.23 110.968 169.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.433 0.635 . . . . 73.0 111.398 173.98 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 110.326 -0.25 . . . . 71.32 110.326 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -54.2 113.75 1.37 Allowed 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 124.491 1.116 . . . . 75.03 113.762 -166.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.46 ' HG2' HD23 ' A' ' 4' ' ' LEU . 52.1 ttm -167.79 162.56 13.84 Favored 'General case' 0 CA--C 1.564 1.513 0 C-N-CA 124.533 1.133 . . . . 62.41 109.819 -174.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.46 HD23 ' HG2' ' A' ' 3' ' ' MET . 1.5 pt? -61.41 -15.63 38.77 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 112.209 0.448 . . . . 71.05 112.209 173.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -66.42 -38.04 86.55 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.914 1.286 . . . . 74.11 110.774 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -70.07 -39.38 75.68 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.426 -0.806 . . . . 71.5 110.088 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.636 ' HE2' HD11 ' A' ' 11' ' ' LEU . 58.7 tttt -59.91 -42.29 93.55 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 115.008 -0.996 . . . . 75.33 111.408 172.319 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.87 -34.81 76.68 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.704 0.802 . . . . 75.42 111.334 178.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.38 -36.81 69.96 Favored Glycine 0 CA--C 1.54 1.637 0 CA-C-N 115.495 -0.775 . . . . 52.13 113.005 173.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.99 -43.85 86.57 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.566 0.746 . . . . 50.45 111.372 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.636 HD11 ' HE2' ' A' ' 7' ' ' LYS . 87.8 mt -68.9 -33.5 73.86 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.952 0.901 . . . . 73.44 110.714 176.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.479 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -59.25 -43.28 92.43 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.384 0.674 . . . . 51.23 112.244 175.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 17' ' ' GLU . . . -58.67 -52.5 52.68 Favored Glycine 0 CA--C 1.536 1.395 0 CA-C-N 115.554 -0.748 . . . . 74.43 113.926 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -69.95 -34.91 74.03 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.291 0.636 . . . . 65.1 112.306 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.636 HG23 HG21 ' A' ' 30' ' ' ILE . 63.2 mt -67.14 -39.17 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 C-N-CA 123.112 0.565 . . . . 73.52 110.908 174.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -60.26 -44.3 95.42 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 123.454 0.701 . . . . 70.42 111.011 172.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 13' ' ' GLY . 37.0 mt-10 -66.41 -29.44 69.59 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.36 0.664 . . . . 71.41 112.613 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.34 -36.42 82.86 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.868 0.467 . . . . 51.32 110.937 173.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 67' ' ' LYS . 96.2 mt -87.27 -18.29 30.55 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 123.909 0.884 . . . . 71.34 112.472 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -64.75 123.42 19.31 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.251 0.621 . . . . 74.03 111.649 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.3 12.31 69.03 Favored Glycine 0 CA--C 1.541 1.672 0 CA-C-N 116.063 -0.517 . . . . 73.53 114.023 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.526 HG22 ' H ' ' A' ' 24' ' ' GLY . 10.1 m -118.87 149.22 41.91 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.901 0.88 . . . . 71.33 110.754 -176.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.38 -23.22 66.29 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.906 0.883 . . . . 75.34 112.836 176.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.526 ' H ' HG22 ' A' ' 22' ' ' THR . . . 123.71 147.82 7.36 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 113.952 0.341 . . . . 74.25 113.952 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.599 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 2.4 mm? -127.21 164.3 21.99 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.626 0.771 . . . . 64.31 110.178 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 78.2 p -77.54 168.62 19.69 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 116.22 -0.445 . . . . 73.51 110.886 171.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -38.91 75.95 Favored 'General case' 0 CA--C 1.564 1.494 0 N-CA-C 113.402 0.89 . . . . 74.54 113.402 -174.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -65.45 -48.35 72.98 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.586 0.754 . . . . 62.54 110.986 174.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.599 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 13.2 mm-40 -63.44 -39.3 94.09 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 112.45 0.537 . . . . 73.53 112.45 -172.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.636 HG21 HG23 ' A' ' 15' ' ' ILE . 56.5 mt -68.38 -46.14 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-O 120.712 0.291 . . . . 73.32 110.338 175.353 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -57.39 -35.5 70.08 Favored 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 123.939 0.895 . . . . 71.35 110.918 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -69.48 -47.3 64.34 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.65 1.18 . . . . 54.43 111.06 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.72 74.48 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.903 0.881 . . . . 75.33 112.176 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.6 p -89.59 -2.55 58.36 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.771 0.829 . . . . 73.24 112.338 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt 70.2 23.7 5.09 Favored 'General case' 0 N--CA 1.501 2.099 0 C-N-CA 124.525 1.13 . . . . 62.53 112.125 175.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.9 mt -85.72 132.11 34.2 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.692 0.797 . . . . 75.53 109.924 175.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -89.73 -42.31 11.39 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.422 0.689 . . . . 74.33 111.161 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.05 141.62 28.32 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.82 0.848 . . . . 53.03 111.408 -176.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -61.13 -31.74 71.45 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.246 1.418 . . . . 64.44 111.998 176.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -57.09 -42.57 80.99 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.792 1.237 . . . . 72.42 112.785 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.97 -34.08 76.97 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.395 0.678 . . . . 63.43 111.388 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -64.9 -40.77 95.6 Favored 'General case' 0 CA--C 1.556 1.204 0 CA-C-N 116.027 -0.533 . . . . 70.4 111.046 174.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -64.03 -40.92 97.39 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 122.994 0.518 . . . . 72.42 112.333 178.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.25 -47.44 86.05 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.378 0.671 . . . . 43.43 111.644 176.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.603 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -66.4 -51.82 40.11 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 116.131 -0.486 . . . . 55.44 113.554 178.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.91 -36.76 82.28 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.781 0.833 . . . . 60.23 111.995 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.99 -31.29 78.07 Favored Glycine 0 N--CA 1.475 1.273 0 CA-C-N 116.015 -0.539 . . . . 41.13 112.818 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.501 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 11.2 t-105 -77.45 -29.65 52.92 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 123.222 0.609 . . . . 71.42 111.133 176.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.645 HD23 HG11 ' A' ' 55' ' ' VAL . 5.8 mp -64.95 -31.56 72.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.776 -0.577 . . . . 52.23 111.001 172.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.407 ' HB3' ' HG2' ' B' ' 5' ' ' LYS . 86.8 mt -72.14 -35.46 69.08 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.973 0.909 . . . . 75.44 112.874 178.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.573 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 12.2 ptm180 -61.02 -27.07 68.06 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 113.713 1.005 . . . . 62.11 113.713 -178.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.573 ' HG3' ' HG3' ' A' ' 51' ' ' ARG . 42.8 mt-10 -109.47 -9.27 14.93 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.266 0.626 . . . . 74.44 111.806 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 61.77 35.44 16.73 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.922 0.889 . . . . 70.22 111.544 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -77.84 -6.62 54.8 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 115.23 -0.895 . . . . 71.0 111.259 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.645 HG11 HD23 ' A' ' 49' ' ' LEU . 31.0 m -132.66 161.9 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.092 0.957 . . . . 71.4 111.093 177.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.675 HG13 HG22 ' A' ' 69' ' ' VAL . 15.8 m -116.93 127.9 74.45 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.033 0 C-N-CA 124.071 0.948 . . . . 74.14 110.654 170.038 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.0 p -106.05 133.88 50.06 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.53 1.132 . . . . 63.13 110.106 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.6 t -123.56 148.44 46.34 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.462 1.105 . . . . 54.43 110.075 -178.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -97.23 101.29 12.82 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.595 -0.891 . . . . 73.04 108.595 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.3 t -122.13 111.18 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.51 0.724 . . . . 63.23 110.209 -174.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 58.16 35.44 25.06 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 124.897 1.279 . . . . 75.44 112.116 176.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.52 -13.57 57.8 Favored Glycine 0 CA--C 1.543 1.814 0 CA-C-N 115.885 -0.598 . . . . 22.12 114.193 -177.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -98.67 155.35 17.37 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.768 0.827 . . . . 54.34 111.921 -171.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.1 mt -85.24 111.1 20.24 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.178 0 C-N-CA 123.435 0.694 . . . . 74.35 110.41 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -106.35 133.51 50.93 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.091 0.956 . . . . 71.44 108.623 171.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.1 p -139.51 149.42 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 CA-C-O 121.26 0.552 . . . . 74.35 112.476 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.475 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 20.7 pttp -154.73 169.82 23.04 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.182 0.993 . . . . 75.22 109.707 177.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.542 HD23 HG12 ' A' ' 55' ' ' VAL . 48.4 mt -68.05 160.46 28.79 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 118.504 0.593 . . . . 71.53 111.51 173.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.675 HG22 HG13 ' A' ' 56' ' ' VAL . 15.8 t -79.17 76.85 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 CA-C-O 121.582 0.706 . . . . 75.31 109.188 175.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.1 mt -108.87 29.39 7.51 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.268 1.027 . . . . 64.43 110.641 -177.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.32 93.53 0.1 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.805 1.242 . . . . 75.23 111.727 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -66.96 -42.62 84.88 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 109.339 -0.615 . . . . 75.24 109.339 173.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -59.21 119.3 7.1 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 115.499 -0.773 . . . . 74.31 108.984 163.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -65.99 -54.6 24.04 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.021 0.748 . . . . 73.44 113.021 -166.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -158.21 166.21 32.97 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 112.267 0.469 . . . . 72.14 112.267 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -147.72 125.18 11.66 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.601 0.761 . . . . 53.13 109.345 174.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 122.182 0.992 . . . . 72.42 111.517 179.019 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.92 0 N-CA-C 112.031 0.382 . . . . 71.5 112.031 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -91.08 32.34 1.02 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.638 0.775 . . . . 63.25 111.451 -177.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.643 ' HB3' ' HB2' ' B' ' 6' ' ' GLU . 12.0 tpt -76.39 151.43 36.58 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.819 1.248 . . . . 71.44 110.781 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.39 -28.74 67.37 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.234 0.614 . . . . 61.31 111.076 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.437 ' H ' ' HG3' ' B' ' 3' ' ' MET . 0.9 OUTLIER -67.67 -45.11 76.16 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.532 0.733 . . . . 63.44 110.212 169.171 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.643 ' HB2' ' HB3' ' B' ' 3' ' ' MET . 2.9 tp10 -70.27 -39.08 75.15 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.434 0.694 . . . . 73.13 112.388 -169.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -32.59 73.74 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.844 0.457 . . . . 62.14 111.616 178.328 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.24 -36.8 85.28 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.537 0.735 . . . . 73.23 111.154 175.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.63 -38.53 57.23 Favored Glycine 0 C--N 1.35 1.339 0 CA-C-N 115.967 -0.56 . . . . 54.43 113.717 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.9 97.52 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.624 0.77 . . . . 74.41 111.274 176.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.525 HD22 HD21 ' B' ' 36' ' ' LEU . 81.2 mt -71.75 -37.92 70.48 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.396 -0.82 . . . . 64.51 111.473 175.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.52 -40.28 86.61 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.335 0.654 . . . . 73.51 112.656 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.47 -53.57 44.89 Favored Glycine 0 CA--C 1.534 1.281 0 O-C-N 123.779 0.675 . . . . 44.03 113.305 177.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -70.14 -33.94 72.43 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.076 0.55 . . . . 71.23 112.404 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.502 HG23 HG21 ' B' ' 30' ' ' ILE . 79.4 mt -64.56 -44.33 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 122.982 0.513 . . . . 75.52 110.512 175.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -63.73 -41.96 97.98 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.233 0.613 . . . . 65.03 111.451 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.03 -34.93 78.62 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 123.372 0.669 . . . . 70.03 111.782 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.65 81.62 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.304 0.642 . . . . 63.31 111.26 173.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.43 HD23 HD13 ' B' ' 25' ' ' LEU . 75.8 mt -78.35 -29.59 47.61 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.082 0.953 . . . . 62.34 112.003 177.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -67.89 124.39 23.22 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.681 0.792 . . . . 63.13 111.359 -173.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.24 -37.4 3.4 Favored Glycine 0 CA--C 1.538 1.505 0 CA-C-N 116.013 -0.539 . . . . 50.22 112.668 -172.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.9 m -78.97 158.69 27.93 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.098 0.959 . . . . 73.04 110.848 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.27 10.13 9.21 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.452 0.701 . . . . 74.25 112.267 176.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.65 146.49 10.86 Favored Glycine 0 C--N 1.346 1.109 0 C-N-CA 123.048 0.356 . . . . 63.3 112.32 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.641 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 5.2 mp -124.95 159.78 30.43 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.191 0.596 . . . . 74.4 110.385 -177.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 69.3 p -82.55 170.73 14.87 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 116.358 -0.383 . . . . 54.33 110.448 171.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -55.08 -34.04 63.28 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 123.809 0.843 . . . . 74.42 112.123 174.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -63.65 -53.49 50.6 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 124.509 1.123 . . . . 74.21 112.051 174.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.641 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 69.7 mt-30 -69.29 -40.4 77.75 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.966 0.906 . . . . 72.33 112.891 -170.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.502 HG21 HG23 ' B' ' 15' ' ' ILE . 71.3 mt -60.91 -39.05 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 122.817 0.447 . . . . 74.44 111.278 178.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -64.05 -25.42 68.1 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 113.216 0.821 . . . . 72.44 113.216 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -66.95 -55.93 12.43 Favored 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 109.173 -0.677 . . . . 75.34 109.173 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.51 86.41 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.529 0.732 . . . . 51.11 112.304 -173.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 80.5 p -81.64 -21.93 37.91 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.868 0.867 . . . . 54.22 112.021 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 68.56 35.59 3.16 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 124.735 1.214 . . . . 64.43 111.404 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.525 HD21 HD22 ' B' ' 11' ' ' LEU . 68.8 mt -81.59 124.72 29.77 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.25 0.62 . . . . 70.21 110.93 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -82.76 -49.94 9.21 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.944 0.897 . . . . 74.14 110.859 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.58 131.37 37.75 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.404 0.681 . . . . 74.54 111.528 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -64.83 -26.44 68.34 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.679 0.791 . . . . 75.12 111.402 169.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -59.29 -34.97 72.93 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.393 1.077 . . . . 74.12 112.784 177.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -71.91 -45.81 59.91 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.224 0.61 . . . . 70.14 110.532 171.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -57.6 -39.04 75.95 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 114.86 -1.064 . . . . 72.4 112.964 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -64.45 -37.63 88.2 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 123.089 0.556 . . . . 73.05 112.256 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.37 -40.12 67.52 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.42 0.688 . . . . 62.53 111.337 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLY . . . . . 0.426 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -66.56 -46.29 77.92 Favored Glycine 0 N--CA 1.478 1.45 0 CA-C-N 116.455 -0.339 . . . . 64.41 113.004 176.095 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.672 HD11 HG11 ' B' ' 66' ' ' VAL . 36.3 tp -70.53 -30.71 67.53 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 124.004 0.922 . . . . 75.03 111.315 178.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.72 -30.59 70.55 Favored Glycine 0 N--CA 1.476 1.311 0 CA-C-N 115.319 -0.855 . . . . 73.53 112.31 176.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' TRP . . . . . 0.549 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 8.7 t-105 -64.7 -40.9 96.16 Favored 'General case' 0 CA--C 1.562 1.421 0 C-N-CA 123.137 0.575 . . . . 73.55 110.089 171.353 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.492 HD23 HG11 ' B' ' 55' ' ' VAL . 6.5 mp -56.98 -28.88 62.75 Favored 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 123.35 0.66 . . . . 53.44 112.66 177.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.07 -42.32 84.9 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.192 0.597 . . . . 62.24 111.993 172.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' B' ' 48' ' ' TRP . 12.5 ptp180 -66.23 -28.3 68.62 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 121.302 0.572 . . . . 74.33 110.275 176.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.414 ' HB3' ' HE2' ' B' ' 54' ' ' LYS . 27.8 mm-40 -78.85 -20.22 50.1 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.433 -0.803 . . . . 75.31 111.579 178.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 p30 51.75 25.32 2.85 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 126.043 1.737 . . . . 73.12 112.917 -172.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' B' ' 52' ' ' GLU . 56.6 mtmt -87.47 -0.36 56.7 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.645 0.778 . . . . 72.54 111.915 178.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.492 HG11 HD23 ' B' ' 49' ' ' LEU . 35.3 m -132.63 163.17 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-O 121.651 0.738 . . . . 62.13 112.805 176.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 6.7 p -129.72 133.09 65.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 C-N-CA 125.143 1.377 . . . . 74.11 108.328 167.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' THR . . . . . 0.469 HG22 HG12 ' B' ' 66' ' ' VAL . 34.1 p -102.48 154.93 18.62 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 121.238 0.542 . . . . 75.22 111.09 -172.226 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 79.9 p -163.46 171.96 15.18 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.633 1.173 . . . . 72.21 109.47 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -113.17 108.64 17.57 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.97 -0.752 . . . . 74.43 108.97 172.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 41.1 t -108.66 120.53 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.832 0.853 . . . . 64.41 109.936 175.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 58.07 29.67 18.14 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.838 1.655 . . . . 73.22 112.982 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.77 -3.24 65.06 Favored Glycine 0 CA--C 1.541 1.692 0 N-CA-C 114.982 0.753 . . . . 70.53 114.982 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -117.45 163.27 16.64 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 118.108 0.954 . . . . 74.3 112.02 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 70.7 mt -72.81 122.05 24.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 CA-C-N 115.278 -0.874 . . . . 70.23 109.529 174.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -128.26 128.04 43.93 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.267 1.027 . . . . 50.05 109.47 -176.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.672 HG11 HD11 ' B' ' 46' ' ' LEU . 29.2 m -123.44 147.51 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.33 0.652 . . . . 71.35 111.314 -176.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -129.15 151.11 50.18 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.524 1.13 . . . . 72.11 108.756 -177.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 58.2 mt -76.92 73.53 3.53 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-N 119.462 1.028 . . . . 54.04 111.638 175.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 15.7 t 51.15 30.17 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 C-N-CA 124.889 1.276 . . . . 61.2 111.661 -178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 85.1 mt -73.14 132.39 43.21 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.689 -0.687 . . . . 54.23 110.38 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -70.55 94.11 0.96 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.341 0.656 . . . . 70.43 110.693 -175.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -154.84 158.51 39.51 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 122.996 0.518 . . . . 71.5 110.723 -176.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 74.0 t60 78.96 2.79 2.44 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 125.925 1.69 . . . . 63.4 112.83 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -82.77 153.53 25.2 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.893 -0.505 . . . . 75.32 109.775 172.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 70.64 -64.88 0.35 Allowed 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 125.325 1.45 . . . . 63.21 111.628 -173.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -76.09 97.09 3.98 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.128 0.571 . . . . 74.21 110.587 177.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 . . . . . 0 N--CA 1.479 0.98 0 C-N-CA 124.318 1.047 . . . . 73.11 110.674 177.163 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 ttm . . . . . 0 N--CA 1.483 1.205 0 N-CA-C 110.531 -0.174 . . . . 63.15 110.531 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm 61.21 26.26 16.15 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 124.633 1.173 . . . . 72.21 113.923 171.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.7 mmt -74.78 143.52 43.98 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.951 0.501 . . . . 70.51 111.991 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mp -62.04 -16.56 52.8 Favored 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 123.965 0.906 . . . . 74.54 111.837 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -59.27 -48.63 80.89 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.309 1.044 . . . . 72.34 111.373 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -65.99 -33.04 74.89 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 115.017 -0.992 . . . . 72.14 110.454 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -44.73 72.5 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.664 0.786 . . . . 73.3 111.358 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.89 -34.72 71.98 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.729 0.812 . . . . 74.05 112.353 177.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.92 -39.73 96.72 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-N 115.951 -0.568 . . . . 64.54 113.766 174.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.08 -33.41 75.97 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.375 0.67 . . . . 54.23 111.768 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.44 -42.02 83.81 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.763 0.825 . . . . 61.05 111.315 176.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -57.73 -41.98 82.95 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.939 0.896 . . . . 74.04 112.811 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.52 -37.89 84.63 Favored Glycine 0 CA--C 1.536 1.397 0 CA-C-N 115.753 -0.658 . . . . 64.13 113.648 177.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -73.1 -46.26 52.36 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.319 0.648 . . . . 65.4 111.502 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.611 HG23 HG21 ' A' ' 30' ' ' ILE . 68.2 mt -66.68 -41.87 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 123.689 0.796 . . . . 72.02 111.91 -176.199 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -60.99 -43.36 98.95 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.069 0.548 . . . . 73.32 110.777 173.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.07 -30.97 69.41 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.56 0.744 . . . . 75.52 111.47 -177.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.0 -30.97 68.42 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.505 0.722 . . . . 62.34 111.271 173.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.5 mt -81.31 -20.15 41.38 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.759 0.824 . . . . 53.14 111.844 172.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -79.56 120.24 23.64 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.425 0.69 . . . . 71.33 109.24 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.68 -8.76 37.34 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 122.874 0.273 . . . . 74.42 112.777 -169.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.7 p -129.18 168.72 15.74 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.496 1.118 . . . . 75.34 109.789 175.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.427 ' HA ' HD11 ' A' ' 70' ' ' LEU . 13.1 pt-20 -91.07 -4.05 56.64 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 111.876 0.324 . . . . 71.51 111.876 178.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.35 131.63 2.54 Favored Glycine 0 C--N 1.35 1.344 0 CA-C-N 116.637 -0.256 . . . . 62.15 113.067 -175.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.426 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 98.1 mt -125.4 159.32 32.14 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.894 0.877 . . . . 72.14 110.941 -178.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.2 p -82.82 167.13 18.39 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 109.475 -0.565 . . . . 50.4 109.475 173.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 20.3 pt20 -51.34 -42.74 61.48 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 123.393 0.677 . . . . 62.04 112.435 -177.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -57.68 -49.62 75.91 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.465 1.106 . . . . 71.25 113.058 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.426 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 48.9 mt-30 -67.19 -33.0 74.45 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.689 0.795 . . . . 74.44 111.864 -174.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.611 HG21 HG23 ' A' ' 15' ' ' ILE . 57.3 mt -73.31 -45.43 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.41 0.684 . . . . 60.11 111.132 177.384 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 27' ' ' GLN . 51.5 mtpt -59.55 -34.03 72.15 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.416 0.687 . . . . 43.34 111.781 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -69.91 -48.11 59.85 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 123.45 0.7 . . . . 60.53 110.342 175.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.0 -34.18 77.83 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.533 0.733 . . . . 70.23 112.621 -177.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.8 p -87.95 -17.2 31.83 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.876 0.871 . . . . 73.25 111.467 176.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm 65.94 31.38 9.26 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 125.369 1.468 . . . . 65.41 112.575 -178.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 pp -101.93 137.29 40.41 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-O 121.196 0.522 . . . . 75.31 110.389 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.65 -12.81 30.62 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.568 0.747 . . . . 71.0 112.315 -179.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -98.23 114.08 26.22 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.437 0.695 . . . . 75.34 112.4 -170.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -59.58 -27.41 66.24 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.116 0.566 . . . . 70.3 110.555 168.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.405 ' NZ ' ' HB3' ' A' ' 40' ' ' LYS . 2.0 mmmp? -50.49 -57.9 7.0 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.46 1.504 . . . . 62.11 112.662 175.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -76.94 -21.53 54.67 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.972 0.509 . . . . 63.01 111.48 -177.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -63.11 -40.45 97.66 Favored 'General case' 0 CA--C 1.557 1.221 0 CA-C-N 115.768 -0.651 . . . . 74.11 110.9 170.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -65.34 -39.78 92.82 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 123.064 0.546 . . . . 74.1 112.201 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.78 -46.15 89.35 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.414 0.686 . . . . 34.1 111.303 178.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.607 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -68.97 -50.72 32.91 Favored Glycine 0 CA--C 1.537 1.421 0 CA-C-N 116.062 -0.517 . . . . 62.13 113.311 177.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.4 tp -56.7 -38.16 71.9 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.304 1.042 . . . . 74.33 112.141 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.9 -31.61 72.87 Favored Glycine 0 N--CA 1.476 1.309 0 CA-C-N 115.21 -0.904 . . . . 72.34 112.336 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.523 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 8.6 t-105 -74.15 -31.79 62.86 Favored 'General case' 0 CA--C 1.564 1.51 0 C-N-CA 123.928 0.891 . . . . 60.21 110.699 175.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.471 HD23 HG11 ' A' ' 55' ' ' VAL . 6.4 mp -66.4 -36.36 82.63 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.596 -0.69 . . . . 45.54 110.705 172.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.507 HD21 HG23 ' A' ' 57' ' ' THR . 96.2 mt -71.68 -34.13 69.42 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.943 0.897 . . . . 70.25 112.627 175.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.644 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 7.9 ptt180 -60.9 -37.35 81.94 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 112.09 0.404 . . . . 72.43 112.09 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.644 ' HG3' ' HG3' ' A' ' 51' ' ' ARG . 44.3 mt-10 -100.36 -6.6 25.52 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.82 0.848 . . . . 65.22 112.031 -178.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 63.49 36.21 11.41 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 124.258 1.023 . . . . 52.22 112.359 174.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.53 ' HE3' ' HB2' ' A' ' 52' ' ' GLU . 14.9 ptpt -85.21 -5.87 59.3 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.222 0.609 . . . . 74.51 111.021 175.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.548 HG12 HD23 ' A' ' 68' ' ' LEU . 26.4 m -136.77 168.6 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 C-N-CA 124.465 1.106 . . . . 74.22 110.494 174.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.7 m -135.35 139.55 46.56 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 124.766 1.227 . . . . 73.51 109.598 168.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.507 HG23 HD21 ' A' ' 50' ' ' LEU . 39.9 p -106.78 148.1 28.87 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.624 0.769 . . . . 73.34 111.497 -173.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.2 m -137.82 154.31 49.54 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.833 1.253 . . . . 44.51 109.801 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -110.18 108.3 18.39 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.425 0.69 . . . . 71.4 109.368 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.4 t -121.43 109.34 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 123.473 0.709 . . . . 74.45 110.357 -173.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 51.59 32.54 9.23 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.249 1.42 . . . . 74.35 113.97 173.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.98 -21.45 45.83 Favored Glycine 0 CA--C 1.538 1.52 0 N-CA-C 114.639 0.615 . . . . 54.21 114.639 -178.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -80.05 136.35 36.55 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 117.834 0.817 . . . . 74.3 111.661 176.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 66.5 mt -75.1 100.79 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 N-CA-C 109.084 -0.71 . . . . 75.13 109.084 167.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -92.13 140.37 29.7 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.345 0.658 . . . . 62.02 109.959 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.0 p -140.46 147.31 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 C-N-CA 123.226 0.61 . . . . 63.42 110.726 172.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.7 147.31 35.45 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.098 0.559 . . . . 44.12 110.696 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.548 HD23 HG12 ' A' ' 55' ' ' VAL . 69.8 mt -64.11 147.3 52.55 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 110.347 -0.242 . . . . 71.43 110.347 174.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 78.5 t -70.4 87.2 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-O 121.54 0.686 . . . . 74.45 109.93 174.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.427 HD11 ' HA ' ' A' ' 23' ' ' GLU . 67.6 mt -83.02 -8.23 59.58 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 115.4 -0.818 . . . . 64.01 111.507 177.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -59.71 122.19 13.53 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.527 0.731 . . . . 75.43 109.967 169.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -82.97 -27.4 30.49 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.503 0.721 . . . . 75.01 110.685 -177.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 67.1 t60 53.41 78.41 0.15 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.185 1.394 . . . . 74.52 112.373 175.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -86.01 149.47 25.15 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.491 -0.777 . . . . 71.24 109.962 176.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -83.16 -50.39 8.5 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 109.781 -0.451 . . . . 75.01 109.781 170.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -169.52 131.04 1.11 Allowed 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.025 0.93 . . . . 55.1 109.856 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 . . . . . 0 N--CA 1.487 1.375 0 C-N-CA 123.359 0.664 . . . . 64.32 111.004 176.358 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 CA--C 1.554 1.128 0 N-CA-C 111.445 0.165 . . . . 71.54 111.445 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -81.08 111.41 17.52 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.727 0.811 . . . . 73.21 110.685 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 84.8 mtp -121.89 139.73 53.28 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.603 0.761 . . . . 62.31 111.485 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.68 -16.93 64.57 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.536 0.734 . . . . 72.42 112.381 175.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -60.92 -35.36 76.51 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.069 0.948 . . . . 53.21 112.305 172.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -63.16 -36.75 84.67 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.669 0.787 . . . . 72.05 112.41 -170.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -31.68 68.56 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 112.338 0.495 . . . . 73.43 112.338 178.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.76 84.94 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 122.85 0.46 . . . . 75.44 110.583 176.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.29 -34.46 57.78 Favored Glycine 0 CA--C 1.539 1.588 0 CA-C-N 115.37 -0.832 . . . . 73.51 113.518 174.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.47 -52.1 36.16 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.189 0.596 . . . . 65.11 111.206 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -57.63 -37.47 73.36 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.3 1.04 . . . . 74.13 111.383 174.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.514 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -56.88 -45.71 82.33 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.587 0.555 . . . . 64.23 112.035 175.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.01 -48.69 85.01 Favored Glycine 0 C--N 1.347 1.171 0 O-C-N 123.884 0.74 . . . . 73.21 113.211 175.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -59.85 -48.87 79.96 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 123.748 0.819 . . . . 75.23 111.777 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.578 HG23 HG21 ' B' ' 30' ' ' ILE . 97.9 mt -62.93 -44.75 99.82 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 124.061 0.945 . . . . 52.43 111.603 177.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -63.69 -39.5 94.46 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.478 0.711 . . . . 55.13 111.753 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -69.05 -26.42 64.96 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.654 0.782 . . . . 52.1 112.077 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.74 -29.89 65.01 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.029 0.532 . . . . 65.45 111.242 170.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.534 HD22 ' HA2' ' B' ' 24' ' ' GLY . 87.3 mt -86.69 -21.16 26.83 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.773 0.829 . . . . 72.22 111.811 176.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -70.05 120.54 15.9 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.74 0.816 . . . . 65.11 110.909 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.97 -33.62 5.62 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 115.801 -0.636 . . . . 41.34 113.04 -175.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 31.9 p -89.12 173.63 8.33 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.423 0.689 . . . . 74.45 111.702 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -89.65 8.57 30.81 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.832 0.853 . . . . 75.01 111.889 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.534 ' HA2' HD22 ' B' ' 19' ' ' LEU . . . 91.9 141.42 10.01 Favored Glycine 0 C--N 1.353 1.473 0 C-N-CA 122.835 0.255 . . . . 63.23 113.451 -176.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.84 176.54 5.35 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.913 0.885 . . . . 75.33 110.649 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 75.8 p -87.1 166.37 15.05 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 122.72 0.408 . . . . 73.1 110.326 172.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' GLN . . . . . 0.42 ' HG2' ' CD2' ' B' ' 42' ' ' PHE . 0.3 OUTLIER -51.9 -51.2 58.52 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.36 1.064 . . . . 73.4 111.474 -174.188 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -61.69 -32.42 72.61 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 113.116 0.784 . . . . 61.05 113.116 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -74.83 -40.95 60.77 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.156 0.582 . . . . 73.15 111.707 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.578 HG21 HG23 ' B' ' 15' ' ' ILE . 57.4 mt -71.79 -47.13 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 123.183 0.593 . . . . 71.31 111.492 -177.281 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -61.88 -29.39 70.16 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.518 0.327 . . . . 70.43 111.707 178.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -70.79 -49.88 41.77 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.126 0.57 . . . . 43.24 109.666 174.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.7 91.05 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.83 0.852 . . . . 73.13 112.379 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.472 ' OG1' ' HG ' ' B' ' 36' ' ' LEU . 72.2 p -86.44 -8.07 57.92 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.164 0.986 . . . . 65.24 111.874 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? 62.68 37.89 12.42 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 125.059 1.343 . . . . 65.24 112.435 177.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.472 ' HG ' ' OG1' ' B' ' 34' ' ' THR . 88.8 mt -64.49 127.59 32.15 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.482 0.713 . . . . 74.43 110.436 173.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 pptp? -67.29 -22.99 65.62 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.354 0.662 . . . . 73.51 112.596 -172.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.93 172.74 12.33 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.119 0.967 . . . . 32.21 110.878 174.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -69.81 -28.79 66.02 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.788 0.835 . . . . 65.24 110.224 170.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -63.75 -29.83 71.0 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.488 1.115 . . . . 70.42 112.952 -175.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -60.0 -41.23 91.66 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.517 0.727 . . . . 55.22 110.623 174.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 0.472 ' HA ' HD11 ' B' ' 15' ' ' ILE . 65.7 t80 -64.76 -43.73 92.34 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 114.849 -1.069 . . . . 71.44 111.763 -178.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -66.44 -33.44 75.7 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 122.96 0.504 . . . . 74.41 112.306 -173.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.66 -43.34 66.24 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.284 0.634 . . . . 75.41 111.309 175.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.46 -42.33 93.8 Favored Glycine 0 CA--C 1.537 1.464 0 CA-C-N 116.369 -0.378 . . . . 74.35 113.192 176.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.6 tp -64.45 -33.42 75.84 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.27 1.028 . . . . 74.11 111.27 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.28 -34.02 87.88 Favored Glycine 0 N--CA 1.472 1.058 0 CA-C-N 115.726 -0.67 . . . . 51.4 112.365 176.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' TRP . . . . . 0.514 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 21.0 t-105 -77.0 -34.68 57.49 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 123.034 0.533 . . . . 71.33 110.861 175.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.445 ' HB3' ' CG2' ' B' ' 55' ' ' VAL . 8.0 mp -56.42 -40.64 75.06 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.473 0.709 . . . . 74.04 111.779 172.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -67.6 -42.41 82.47 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.783 0.833 . . . . 72.43 112.466 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -18.8 60.89 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 112.181 0.437 . . . . 72.25 112.181 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.559 ' HB2' ' HD2' ' B' ' 54' ' ' LYS . 12.0 mm-40 -91.86 -15.53 28.02 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.673 0.389 . . . . 63.22 111.642 174.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 56.26 29.55 15.11 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.202 1.001 . . . . 64.35 111.581 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.559 ' HD2' ' HB2' ' B' ' 52' ' ' GLU . 1.8 ptmm? -86.4 -7.64 58.29 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 114.638 -1.165 . . . . 73.25 110.863 -177.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' B' ' 49' ' ' LEU . 34.8 m -138.35 178.92 3.7 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.224 0 C-N-CA 124.69 1.196 . . . . 63.45 111.419 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 p -141.96 140.14 30.22 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 124.38 1.072 . . . . 72.02 110.498 169.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 46.2 p -110.19 134.39 52.27 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.204 1.002 . . . . 62.53 112.12 -173.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 38.3 t -135.44 170.55 15.76 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.426 1.491 . . . . 72.12 109.81 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -112.37 107.54 16.39 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.761 0.424 . . . . 64.45 110.584 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 39.6 t -113.68 117.57 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 124.02 0.928 . . . . 73.1 110.62 178.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 58.87 37.96 24.66 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 124.928 1.291 . . . . 65.32 112.94 172.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.1 12.42 84.65 Favored Glycine 0 CA--C 1.537 1.424 0 CA-C-N 115.866 -0.606 . . . . 54.52 113.834 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -127.2 155.75 42.92 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.745 0.818 . . . . 73.52 111.107 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 69.2 mt -74.83 111.69 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 C-N-CA 123.418 0.687 . . . . 74.14 110.168 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -94.65 135.49 36.06 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.71 -0.848 . . . . 74.21 108.71 169.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 8.8 p -139.36 143.56 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-O 120.834 0.35 . . . . 73.41 111.015 174.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -146.15 162.55 37.74 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.506 0.722 . . . . 61.44 110.466 -177.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 17.6 mt -70.56 154.19 42.12 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 120.451 0.167 . . . . 74.34 110.828 175.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 52.7 t -69.27 114.36 6.2 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.252 0 C-N-CA 122.644 0.378 . . . . 42.54 110.141 176.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 6.0 mp -68.71 -17.52 64.08 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 123.757 0.823 . . . . 75.01 112.259 -173.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -60.85 117.33 5.28 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.497 0.719 . . . . 64.21 110.244 173.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -72.45 110.83 7.13 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.589 0.756 . . . . 61.23 111.714 -173.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -103.79 155.44 18.6 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.977 0.911 . . . . 75.35 111.401 -176.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -98.0 121.3 39.75 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.132 0.973 . . . . 63.13 109.644 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -111.57 167.35 10.39 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.611 0.764 . . . . 72.25 111.844 -175.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -62.38 97.08 0.09 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.854 0.861 . . . . 60.32 109.625 173.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 . . . . . 0 N--CA 1.479 1.011 0 C-N-CA 123.937 0.895 . . . . 70.22 111.105 -168.126 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.564 ' HB2' ' HB2' ' A' ' 6' ' ' GLU . 24.6 ptt? . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 120.214 0.054 . . . . 75.04 110.884 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -95.91 -40.45 9.29 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 122.652 0.381 . . . . 73.53 111.107 173.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.3 mmm -114.92 154.4 28.79 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 123.605 0.762 . . . . 74.11 111.168 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.6 mt -64.26 -21.83 66.73 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 113.143 0.794 . . . . 61.24 113.143 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -64.76 -34.01 77.32 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.699 0.4 . . . . 55.54 112.069 174.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 1' ' ' MET . 35.7 mm-40 -62.11 -38.88 90.55 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.289 0.636 . . . . 73.34 112.435 -170.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.448 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -66.24 -32.3 73.64 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.717 0.407 . . . . 62.24 111.786 178.616 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.0 -35.0 78.98 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.267 0.627 . . . . 71.15 111.07 175.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.09 -32.35 63.23 Favored Glycine 0 C--N 1.351 1.392 0 CA-C-N 115.461 -0.791 . . . . 60.25 113.289 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.4 -49.53 68.91 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.332 0.653 . . . . 60.22 111.08 174.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.493 HD22 HD21 ' A' ' 36' ' ' LEU . 64.9 mt -67.0 -27.01 67.08 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.332 0.653 . . . . 72.52 111.525 178.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.464 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -59.71 -45.25 92.73 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.261 0.625 . . . . 73.34 111.59 172.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.07 -32.37 82.07 Favored Glycine 0 CA--C 1.537 1.414 0 CA-C-N 115.618 -0.719 . . . . 41.23 113.394 175.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -69.43 -48.96 59.32 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.375 0.67 . . . . 74.02 111.583 177.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.446 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 64.8 mt -69.55 -46.38 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 123.48 0.712 . . . . 63.4 111.507 -176.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -57.27 -43.04 82.71 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.823 0.849 . . . . 74.13 110.816 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -59.45 -43.49 93.14 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.532 1.133 . . . . 62.23 111.015 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.17 -29.1 68.7 Favored 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 123.484 0.714 . . . . 45.55 112.569 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 61.8 mt -83.79 -25.18 30.67 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.255 0.622 . . . . 64.5 111.518 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -70.27 136.77 50.18 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.749 0.82 . . . . 71.31 111.61 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.35 9.9 73.73 Favored Glycine 0 N--CA 1.48 1.573 0 CA-C-N 116.195 -0.457 . . . . 54.4 113.85 -175.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 m -134.44 169.57 17.05 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.859 1.264 . . . . 74.55 108.322 -177.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -88.22 29.13 0.98 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.767 0.427 . . . . 70.35 110.68 168.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.431 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 79.86 -175.87 54.85 Favored Glycine 0 C--N 1.344 1.001 0 CA-C-O 121.408 0.449 . . . . 74.34 113.81 -177.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.6 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 95.7 mt -145.39 164.14 32.41 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.217 1.007 . . . . 61.14 109.444 -174.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.7 p -78.2 164.86 24.57 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 109.447 -0.575 . . . . 63.24 109.447 169.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 18.0 pt20 -54.33 -39.48 67.08 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.711 0.404 . . . . 72.23 110.558 178.409 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -57.55 -52.16 66.54 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.126 1.37 . . . . 70.5 112.003 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.6 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 17.6 mm-40 -65.72 -34.8 79.04 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.582 0.753 . . . . 64.21 111.437 -177.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.437 HD11 HD21 ' A' ' 19' ' ' LEU . 97.5 mt -70.56 -41.6 78.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 123.435 0.694 . . . . 73.54 111.263 177.32 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 12.2 mmmm -58.77 -39.34 80.73 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.288 0.635 . . . . 72.11 111.361 177.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -68.7 -41.7 78.75 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.263 -0.88 . . . . 73.22 111.821 176.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.57 -45.93 70.75 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.524 0.729 . . . . 53.02 112.357 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.5 p -90.96 -14.88 30.7 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.342 1.057 . . . . 72.43 112.476 -172.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 66.15 42.0 3.32 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 124.537 1.135 . . . . 53.11 111.874 174.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.493 HD21 HD22 ' A' ' 11' ' ' LEU . 97.0 mt -83.14 138.0 33.84 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.562 0.345 . . . . 73.33 111.605 -177.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -66.51 -36.11 81.92 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.973 0.909 . . . . 74.44 112.533 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.18 152.6 47.53 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.266 0.626 . . . . 70.31 111.576 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -59.96 -25.58 65.32 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.982 0.913 . . . . 72.45 111.35 171.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -53.11 -43.74 67.11 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.807 1.243 . . . . 74.5 112.176 172.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -67.97 -34.61 76.88 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.45 0.7 . . . . 71.42 110.819 178.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -63.81 -36.61 84.48 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 115.413 -0.812 . . . . 70.21 111.256 173.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -71.28 -34.5 70.72 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 122.566 0.347 . . . . 63.33 111.744 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -71.07 -42.49 69.33 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.247 0.619 . . . . 63.23 111.047 175.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.19 -53.91 23.48 Favored Glycine 0 CA--C 1.537 1.445 0 CA-C-N 116.417 -0.356 . . . . 62.33 112.969 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.1 tp -62.03 -30.39 70.94 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.267 1.027 . . . . 61.23 111.644 176.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.34 -30.92 75.44 Favored Glycine 0 N--CA 1.475 1.237 0 CA-C-N 116.007 -0.542 . . . . 71.45 112.712 174.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.49 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 2.3 t-105 -76.91 -36.06 56.93 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 123.154 0.582 . . . . 70.11 110.694 174.038 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.506 HD23 HG11 ' A' ' 55' ' ' VAL . 7.5 mp -63.46 -31.77 73.02 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.069 0.547 . . . . 73.34 111.391 173.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 tt -76.5 -42.92 41.7 Favored 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 123.376 0.671 . . . . 75.14 109.722 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.666 ' HB2' ' HB3' ' B' ' 51' ' ' ARG . 9.1 ptp180 -60.64 -33.06 72.24 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 113.817 1.043 . . . . 74.31 113.817 -172.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -102.39 0.87 34.63 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.103 0.561 . . . . 73.33 112.066 178.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.7 t70 62.54 44.3 7.08 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 122.436 1.113 . . . . 72.44 110.503 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -76.61 -32.62 58.17 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 114.586 -1.188 . . . . 64.34 110.703 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.506 HG11 HD23 ' A' ' 49' ' ' LEU . 29.8 m -132.5 173.44 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.41 0.684 . . . . 73.24 112.302 -173.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -122.2 138.57 51.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 C-N-CA 124.827 1.251 . . . . 51.43 109.548 170.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.429 ' HA ' HG12 ' A' ' 66' ' ' VAL . 46.8 p -101.72 136.27 41.84 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.751 0.821 . . . . 43.31 111.819 -175.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.1 t -146.66 172.23 13.92 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.787 1.235 . . . . 70.35 109.685 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.88 121.64 33.77 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 121.668 0.747 . . . . 63.23 111.046 173.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.9 t -105.22 111.04 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.506 0.722 . . . . 64.15 109.795 172.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 58.89 41.79 20.7 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.627 1.171 . . . . 73.51 112.869 172.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.68 7.24 88.77 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 115.463 -0.789 . . . . 73.43 114.629 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -119.46 151.2 38.95 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.454 0.701 . . . . 75.43 110.744 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 74.4 mt -69.8 129.57 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 122.845 0.458 . . . . 75.34 110.278 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -132.0 122.03 24.86 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.4 1.08 . . . . 70.32 109.143 177.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.429 HG12 ' HA ' ' A' ' 57' ' ' THR . 28.9 m -128.67 151.26 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.045 0.538 . . . . 71.53 111.356 -179.176 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.431 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 62.5 pttt -155.32 162.02 40.94 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 122.929 0.492 . . . . 75.21 110.923 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.498 HD23 HG12 ' A' ' 55' ' ' VAL . 35.4 mt -63.25 145.73 54.91 Favored 'General case' 0 CA--C 1.557 1.215 0 CA-C-O 120.897 0.38 . . . . 64.43 111.663 -179.447 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.553 HG12 ' HG ' ' A' ' 70' ' ' LEU . 85.7 t -58.34 143.18 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 123.898 0.879 . . . . 73.45 111.592 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.553 ' HG ' HG12 ' A' ' 69' ' ' VAL . 75.4 mt 78.69 -29.19 0.15 Allowed 'General case' 0 N--CA 1.504 2.247 0 C-N-CA 125.537 1.535 . . . . 63.23 113.54 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -63.91 103.93 0.64 Allowed 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 113.252 0.834 . . . . 75.12 113.252 -176.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 49.26 60.41 3.78 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 125.805 1.642 . . . . 74.34 111.355 -173.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -93.4 110.41 21.97 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.481 -0.781 . . . . 72.33 111.068 -173.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -131.82 -90.65 0.42 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.216 0.606 . . . . 54.24 110.589 171.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -171.58 141.84 1.53 Allowed 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.737 0.815 . . . . 71.42 110.694 -176.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -88.24 -25.02 23.08 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.476 0.71 . . . . 74.45 110.996 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 . . . . . 0 N--CA 1.486 1.371 0 C-N-CA 124.532 1.133 . . . . 64.44 110.432 173.757 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.6 ttm . . . . . 0 CA--C 1.549 0.908 0 CA-C-O 120.987 0.422 . . . . 71.02 110.785 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -159.58 171.01 20.4 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.396 1.078 . . . . 64.43 111.166 176.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.481 ' HG3' ' HB3' ' B' ' 5' ' ' LYS . 20.6 ptm -153.94 179.2 9.12 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.277 0.631 . . . . 71.11 111.993 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.41 -17.17 64.16 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 123.703 0.801 . . . . 60.04 111.945 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.481 ' HB3' ' HG3' ' B' ' 3' ' ' MET . 88.4 tttt -66.89 -30.7 70.93 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.991 0.916 . . . . 73.4 111.732 172.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -62.25 -51.88 65.97 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.443 0.697 . . . . 73.14 111.621 -177.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -31.26 72.37 Favored 'General case' 0 CA--C 1.555 1.148 0 O-C-N 123.225 0.328 . . . . 63.44 111.866 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.27 -50.71 66.85 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 120.905 0.383 . . . . 71.22 111.909 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.26 -35.57 52.53 Favored Glycine 0 CA--C 1.539 1.551 0 N-CA-C 114.772 0.669 . . . . 72.12 114.772 -176.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.07 -50.03 57.66 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.149 0.58 . . . . 70.22 112.414 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.566 HD22 HD21 ' B' ' 36' ' ' LEU . 82.4 mt -62.41 -24.81 67.6 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 123.175 0.59 . . . . 74.43 111.919 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.96 -36.92 68.35 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.009 0.924 . . . . 55.51 112.414 174.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.32 -49.02 83.17 Favored Glycine 0 CA--C 1.538 1.482 0 CA-C-N 116.08 -0.509 . . . . 73.44 113.524 175.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -64.62 -43.72 92.84 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.724 0.81 . . . . 63.32 111.72 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.486 HD12 ' HA3' ' B' ' 45' ' ' GLY . 77.7 mt -63.79 -39.73 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 123.629 0.772 . . . . 73.12 111.243 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' TRP . . . . . 0.401 ' CD1' ' HD3' ' B' ' 54' ' ' LYS . 87.0 t90 -58.38 -49.36 77.53 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.0 0.52 . . . . 63.11 110.95 174.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.6 -33.97 74.83 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.799 0.84 . . . . 73.54 112.261 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.74 81.54 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.193 0.597 . . . . 42.15 111.59 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.597 HD23 ' HA ' ' B' ' 67' ' ' LYS . 7.5 mp -96.59 -10.75 26.49 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.539 0.736 . . . . 60.35 112.311 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -60.64 122.49 14.86 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.244 0.617 . . . . 65.33 111.644 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.01 22.07 77.07 Favored Glycine 0 CA--C 1.539 1.586 0 CA-C-N 116.521 -0.309 . . . . 62.41 113.512 -177.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.662 HG22 ' H ' ' B' ' 24' ' ' GLY . 27.3 m -121.01 147.08 45.99 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.761 0.824 . . . . 73.45 111.258 -176.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.68 -17.42 64.07 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 125.04 1.336 . . . . 43.13 113.114 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.662 ' H ' HG22 ' B' ' 22' ' ' THR . . . 129.12 149.69 6.92 Favored Glycine 0 C--N 1.348 1.24 0 C-N-CA 123.161 0.41 . . . . 63.11 113.02 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 90.3 mt -136.52 159.22 42.44 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.681 0.792 . . . . 54.21 110.774 -177.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 69.8 p -97.88 169.11 9.88 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.602 0.761 . . . . 73.44 110.515 170.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -55.81 -33.63 64.61 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 113.373 0.879 . . . . 61.5 113.373 -173.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.09 -48.32 82.24 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.833 0.853 . . . . 74.43 112.024 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -70.13 -37.57 75.31 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 115.518 -0.764 . . . . 75.23 111.561 -177.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.456 HG21 HG23 ' B' ' 15' ' ' ILE . 51.1 mt -73.5 -46.58 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 123.167 0.587 . . . . 74.43 111.663 -177.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -61.74 -34.53 75.99 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 122.636 0.374 . . . . 72.02 111.11 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -70.53 -40.62 73.36 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.318 0.647 . . . . 74.41 110.765 176.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.92 -35.55 78.63 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.589 0.756 . . . . 64.45 112.324 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 72.0 p -93.13 -9.39 39.62 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.125 0.97 . . . . 74.34 112.364 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 64.1 mttm 71.18 19.86 5.31 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 125.31 1.444 . . . . 75.32 111.969 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.566 HD21 HD22 ' B' ' 11' ' ' LEU . 89.4 mt -76.87 110.2 11.29 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.475 0.71 . . . . 74.41 110.012 175.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -67.72 -46.39 72.33 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.887 0.875 . . . . 73.44 110.752 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.6 132.36 36.38 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.223 0.609 . . . . 71.2 111.195 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.31 -24.71 64.87 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.077 0.951 . . . . 74.44 112.237 178.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -63.55 -34.48 77.89 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.799 0.84 . . . . 51.11 111.867 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.456 ' HB3' HD13 ' B' ' 11' ' ' LEU . 2.0 m-20 -65.69 -37.8 87.47 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.945 0.898 . . . . 73.2 110.785 173.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -66.15 -46.75 76.33 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 115.44 -0.8 . . . . 74.12 111.533 174.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -62.38 -36.77 83.33 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 112.464 0.542 . . . . 72.32 112.464 -175.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.12 -37.17 64.2 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.248 0.619 . . . . 54.12 111.581 176.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLY . . . . . 0.486 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -67.3 -54.82 18.28 Favored Glycine 0 CA--C 1.541 1.664 0 O-C-N 123.108 0.255 . . . . 53.32 112.815 177.247 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.466 HD21 HG11 ' B' ' 66' ' ' VAL . 53.4 tp -57.83 -34.04 69.27 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.47 1.108 . . . . 70.32 111.743 172.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.57 -31.74 80.87 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-N 115.948 -0.569 . . . . 60.21 112.495 175.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' TRP . . . . . 0.508 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 15.7 t-105 -76.65 -29.98 56.63 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 123.405 0.682 . . . . 74.22 110.967 174.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.33 -30.86 71.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.84 -0.537 . . . . 73.43 110.853 170.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.577 ' HB3' HH12 ' A' ' 51' ' ' ARG . 88.2 mt -74.74 -36.16 62.63 Favored 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 123.82 0.848 . . . . 53.23 112.732 178.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.666 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -70.84 -25.97 63.07 Favored 'General case' 0 N--CA 1.503 2.208 0 CA-C-N 118.292 0.496 . . . . 75.21 112.015 174.405 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -88.89 -8.54 54.06 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.946 -0.57 . . . . 53.13 110.869 173.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 p30 51.84 24.6 2.58 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 126.261 1.824 . . . . 72.44 112.789 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.401 ' HD3' ' CD1' ' B' ' 16' ' ' TRP . 0.1 OUTLIER -84.38 7.86 18.13 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.799 0.839 . . . . 73.22 112.17 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.8 m -135.68 163.95 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 C-N-CA 123.563 0.745 . . . . 72.03 111.357 169.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 14.1 m -122.67 139.91 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.894 0.878 . . . . 75.32 110.815 170.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 62.1 p -103.01 132.84 48.98 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.76 0.824 . . . . 71.15 111.292 -178.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 34.1 t -141.97 158.77 43.38 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.159 0.984 . . . . 72.34 109.053 176.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -110.11 108.39 18.55 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.11 0.481 . . . . 73.52 110.41 -177.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.447 HG12 ' HG3' ' B' ' 61' ' ' GLU . 93.0 t -107.99 111.65 36.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.81 0.844 . . . . 72.42 109.036 175.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.447 ' HG3' HG12 ' B' ' 60' ' ' VAL . 26.3 mt-10 61.83 32.26 18.12 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.984 1.313 . . . . 73.35 112.026 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.25 -26.39 10.31 Favored Glycine 0 CA--C 1.539 1.54 0 CA-C-N 116.411 -0.358 . . . . 75.35 113.952 -174.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -81.42 153.94 26.66 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.643 0.777 . . . . 74.4 112.972 -177.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 63.0 mt -77.43 114.99 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.761 0.824 . . . . 72.43 110.178 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -111.89 122.22 47.19 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.093 0.957 . . . . 60.12 108.995 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.466 HG11 HD21 ' B' ' 46' ' ' LEU . 16.7 m -128.32 154.12 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.256 0.622 . . . . 74.32 111.492 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.597 ' HA ' HD23 ' B' ' 19' ' ' LEU . 20.9 pttp -154.46 153.21 31.15 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 115.973 -0.558 . . . . 74.3 110.36 176.012 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.6 145.69 55.21 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 120.946 0.403 . . . . 75.13 111.708 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 94.6 t -75.83 87.67 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 N-CA-C 108.919 -0.771 . . . . 75.53 108.919 171.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 74.7 mt -93.76 42.94 1.1 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.842 0.857 . . . . 73.42 109.825 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 62.81 -66.62 0.09 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 126.183 1.793 . . . . 62.34 112.881 -170.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -49.01 112.14 0.58 Allowed 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.589 1.156 . . . . 63.14 112.921 -176.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -157.73 159.9 37.33 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 121.295 0.569 . . . . 74.13 111.722 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -109.87 -172.09 1.97 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.076 0.95 . . . . 64.13 109.399 163.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -69.91 -74.95 0.12 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.315 0.246 . . . . 63.24 111.082 176.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -168.86 135.17 1.77 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 122.532 0.333 . . . . 74.52 111.253 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 23.0 p80 . . . . . 0 N--CA 1.492 1.642 0 C-N-CA 123.789 0.836 . . . . 71.55 110.611 172.387 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 CA--C 1.564 1.481 0 N-CA-C 112.031 0.382 . . . . 74.239999999999995 112.031 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -65.96 -44.27 85.47 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.727 0.811 . . . . 64.450000000000003 111.727 173.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -61.6 -41.61 97.68 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.483 0.713 . . . . 74.129999999999995 110.874 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.411 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 57.2 tttm -55.67 -53.66 53.86 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 114.591 -1.186 . . . . 74.439999999999998 111.169 169.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.11 -29.64 67.52 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.405 1.082 . . . . 23.34 112.809 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.86 -36.54 52.44 Favored Glycine 0 CA--C 1.536 1.376 0 CA-C-N 115.845 -0.616 . . . . 73.120000000000005 113.519 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.55 -39.09 81.23 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.465 0.706 . . . . 73.200000000000003 110.997 174.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.423 HD22 ' HB3' ' A' ' 41' ' ' ASP . 70.8 mt -64.01 -41.16 97.55 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.883 0.873 . . . . 73.409999999999997 110.726 174.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.33 -42.08 86.02 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.55 0.74 . . . . 62.420000000000002 112.557 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.29 -54.34 38.72 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-N 115.652 -0.704 . . . . 31.23 113.741 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -67.97 -33.77 75.28 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 112.629 0.603 . . . . 63.130000000000003 112.629 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.501 HD12 ' HA3' ' A' ' 45' ' ' GLY . 87.5 mt -68.99 -43.18 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 C-N-CA 122.824 0.449 . . . . 74.109999999999999 111.003 176.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -59.88 -44.46 94.19 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 122.988 0.515 . . . . 75.140000000000001 111.082 174.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.31 -26.7 66.65 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.567 0.747 . . . . 75.519999999999996 112.328 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.46 -36.31 68.47 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.165 0.586 . . . . 61.409999999999997 111.317 173.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.1 mt -83.11 -15.7 49.75 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.705 0.802 . . . . 75.129999999999995 111.835 176.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -79.73 128.32 33.27 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.053 0.941 . . . . 75.209999999999994 109.396 173.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.24 -2.7 71.7 Favored Glycine 0 CA--C 1.541 1.7 0 N-CA-C 113.941 0.336 . . . . 50.030000000000001 113.941 -177.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.6 t -129.99 165.26 22.51 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.611 0.764 . . . . 72.310000000000002 110.734 175.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -93.31 -0.11 56.78 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 112.266 0.469 . . . . 72.230000000000004 112.266 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.32 140.18 3.65 Favored Glycine 0 C--N 1.352 1.42 0 N-CA-C 113.924 0.33 . . . . 62.409999999999997 113.924 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.0 mt -134.01 154.16 51.32 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.259 1.024 . . . . 71.209999999999994 109.928 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.526 ' HB ' ' HB3' ' A' ' 63' ' ' GLU . 38.0 p -92.28 173.24 7.92 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 110.005 -0.368 . . . . 71.400000000000006 110.005 171.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -51.03 -41.76 60.04 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 113.279 0.844 . . . . 71.319999999999993 113.279 -171.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.7 mttp -65.21 -43.49 91.37 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 112.773 0.657 . . . . 75.040000000000006 112.773 177.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -73.67 -31.95 63.73 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 112.189 0.44 . . . . 72.099999999999994 112.189 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.7 mt -67.06 -53.24 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.726 0.41 . . . . 74.340000000000003 110.205 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -62.96 -26.43 68.83 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 111.695 0.257 . . . . 74.540000000000006 111.695 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -66.79 -52.27 45.91 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.786 0.835 . . . . 75.439999999999998 110.452 174.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.72 -26.23 61.51 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 113.084 0.772 . . . . 72.409999999999997 113.084 -176.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.4 p -87.57 -17.8 31.17 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.975 0.91 . . . . 73.219999999999999 113.171 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HA ' ' HE3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER 72.25 19.34 4.46 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 124.725 1.21 . . . . 63.509999999999998 112.175 -172.272 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.505 HD22 ' HB2' ' A' ' 41' ' ' ASP . 73.5 mt -63.31 116.72 5.75 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.572 0.349 . . . . 72.319999999999993 110.675 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -68.26 -31.45 70.93 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.139 0.576 . . . . 44.020000000000003 110.857 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.51 147.72 47.26 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.754 0.822 . . . . 61.229999999999997 112.187 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -59.79 -24.02 63.78 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 125.268 1.427 . . . . 71.299999999999997 112.703 171.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -51.42 -44.17 62.21 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 124.611 1.164 . . . . 72.019999999999996 111.837 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.505 ' HB2' HD22 ' A' ' 36' ' ' LEU . 4.2 m-20 -74.63 -31.15 61.89 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.589 -1.187 . . . . 70.319999999999993 111.447 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -60.34 -43.55 96.35 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.58 0.752 . . . . 75.510000000000005 111.368 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -64.79 -42.77 94.8 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.191 0.597 . . . . 62.240000000000002 112.504 -176.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 mp -66.75 -47.68 71.49 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 123.156 0.582 . . . . 73.209999999999994 111.645 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.514 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -64.81 -45.86 91.36 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.242 -0.435 . . . . 55.140000000000001 113.103 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.2 tp -57.84 -41.3 82.02 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.252 1.021 . . . . 75.409999999999997 112.006 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.06 -31.23 80.01 Favored Glycine 0 N--CA 1.475 1.294 0 CA-C-N 115.249 -0.887 . . . . 73.5 112.423 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.486 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 22.3 t-105 -75.39 -28.07 59.32 Favored 'General case' 0 CA--C 1.562 1.439 0 C-N-CA 124.257 1.023 . . . . 73.340000000000003 111.578 177.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 45' ' ' GLY . 5.6 mp -73.24 -34.35 65.82 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.762 -0.586 . . . . 43.229999999999997 110.386 172.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.5 mt -67.79 -37.62 82.26 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.89 0.876 . . . . 73.239999999999995 111.868 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.625 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 8.5 ptt180 -61.73 -39.45 91.61 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 120.943 0.402 . . . . 64.319999999999993 111.756 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.625 ' HG3' ' HG3' ' A' ' 51' ' ' ARG . 53.1 mt-10 -93.36 -3.0 54.15 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.98 0.912 . . . . 73.030000000000001 111.966 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 64.39 27.51 13.64 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.102 0.961 . . . . 71.040000000000006 112.467 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -75.65 -20.7 58.3 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.344 0.658 . . . . 61.420000000000002 111.42 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.56 HG12 HD23 ' A' ' 68' ' ' LEU . 27.5 m -135.58 166.43 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-O 121.49 0.662 . . . . 63.020000000000003 111.959 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.3 p -127.41 134.0 66.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 124.438 1.095 . . . . 61.520000000000003 108.951 173.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.609 HG22 HG22 ' A' ' 66' ' ' VAL . 40.2 p -118.54 137.46 53.2 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.593 0.757 . . . . 72.430000000000007 111.14 -173.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -158.98 164.68 35.35 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.695 0.798 . . . . 75.329999999999998 110.082 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -95.57 129.92 42.6 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.359 0.6 . . . . 72.450000000000003 111.122 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.3 t -130.01 110.49 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.455 1.102 . . . . 72.319999999999993 108.425 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 55.83 31.95 18.65 Favored 'General case' 0 CA--C 1.566 1.582 0 C-N-CA 124.916 1.286 . . . . 74.219999999999999 113.556 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.36 -7.33 80.42 Favored Glycine 0 N--CA 1.481 1.667 0 N-CA-C 114.611 0.604 . . . . 42.210000000000001 114.611 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.526 ' HB3' ' HB ' ' A' ' 26' ' ' THR . 18.5 mm-40 -91.57 141.77 28.36 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.886 0.874 . . . . 72.510000000000005 112.065 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.9 mt -75.63 96.38 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.051 0 N-CA-C 109.513 -0.551 . . . . 71.209999999999994 109.513 168.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -86.37 119.41 26.61 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.793 0.837 . . . . 65.340000000000003 110.152 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.609 HG22 HG22 ' A' ' 57' ' ' THR . 22.0 t -125.27 144.99 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.637 0.775 . . . . 74.439999999999998 110.662 -176.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -158.21 155.16 28.51 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.665 0.386 . . . . 63.32 111.198 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.56 HD23 HG12 ' A' ' 55' ' ' VAL . 67.9 mt -63.37 140.78 58.91 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 122.676 0.39 . . . . 74.549999999999997 111.434 177.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.7 t . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 121.345 0.593 . . . . 51.32 111.221 -179.071 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 71.2 mtm . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.159 0.505 . . . . 64.409999999999997 111.736 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.403 ' HA ' ' HG3' ' B' ' 7' ' ' LYS . 7.3 mp -71.29 -15.38 62.42 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.25 0.62 . . . . 54.299999999999997 111.693 172.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -74.07 -38.03 64.06 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.071 0.462 . . . . 74.319999999999993 110.342 167.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -67.08 -40.1 86.94 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.742 -0.663 . . . . 75.030000000000001 111.693 -175.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.403 ' HG3' ' HA ' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -72.12 -27.23 62.5 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 111.835 0.309 . . . . 74.319999999999993 111.835 175.343 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.06 -45.2 89.85 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.071 0.548 . . . . 62.409999999999997 110.766 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.36 -40.25 94.5 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 115.216 -0.902 . . . . 71.209999999999994 113.46 174.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.56 85.7 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.483 0.713 . . . . 61.039999999999999 112.318 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.48 ' O ' HG12 ' B' ' 15' ' ' ILE . 97.0 mt -65.07 -31.78 73.16 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.232 0.613 . . . . 74.540000000000006 112.386 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.424 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -54.2 -30.41 49.61 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 113.086 0.773 . . . . 73.349999999999994 113.086 -177.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.99 -53.28 44.08 Favored Glycine 0 CA--C 1.538 1.515 0 CA-C-N 116.003 -0.544 . . . . 51.030000000000001 114.023 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -74.44 -32.26 62.56 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 112.603 0.594 . . . . 73.340000000000003 112.603 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.48 HG12 ' O ' ' B' ' 11' ' ' LEU . 43.1 mm -63.54 -44.35 98.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 C-N-CA 122.938 0.495 . . . . 74.120000000000005 109.771 174.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -60.17 -44.38 95.07 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 115.3 -0.863 . . . . 70.140000000000001 111.571 172.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.14 -33.51 73.52 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 112.885 0.698 . . . . 71.030000000000001 112.885 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.87 -36.01 82.23 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-O 120.868 0.366 . . . . 74.129999999999995 111.215 174.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.535 HD21 HD11 ' B' ' 30' ' ' ILE . 98.1 mt -81.1 -19.78 42.88 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.628 0.771 . . . . 63.219999999999999 112.557 176.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -67.84 121.82 16.82 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.712 0.805 . . . . 71.439999999999998 111.133 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.46 8.3 85.15 Favored Glycine 0 CA--C 1.538 1.489 0 N-CA-C 114.458 0.543 . . . . 70.230000000000004 114.458 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 31.7 p -118.54 167.57 11.48 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 117.464 0.632 . . . . 71.049999999999997 111.6 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -81.67 12.0 4.27 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.224 1.01 . . . . 72.409999999999997 111.399 171.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.2 148.13 18.28 Favored Glycine 0 C--N 1.345 1.061 0 C-N-CA 123.512 0.577 . . . . 52.450000000000003 112.277 -171.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.457 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 67.5 mt -128.51 160.55 31.98 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.703 0.801 . . . . 73.109999999999999 110.164 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 46.3 p -83.47 169.92 15.0 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.975 -0.557 . . . . 74.200000000000003 110.716 172.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -55.78 -41.05 73.49 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.604 0.761 . . . . 74.349999999999994 112.71 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -72.66 -36.19 67.9 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.948 0.899 . . . . 72.099999999999994 112.598 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . 0.457 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 52.6 mt-30 -66.46 -41.39 89.12 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.722 0.409 . . . . 75.530000000000001 111.105 177.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.535 HD11 HD21 ' B' ' 19' ' ' LEU . 70.3 mt -66.93 -49.81 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 123.151 0.58 . . . . 72.239999999999995 110.855 174.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -54.74 -39.24 68.08 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 124.46 1.104 . . . . 61.130000000000003 112.266 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -66.63 -48.64 68.83 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.078 0.951 . . . . 70.140000000000001 110.941 175.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.93 -27.61 66.77 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.591 0.757 . . . . 64.109999999999999 112.622 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.471 HG21 HD13 ' B' ' 15' ' ' ILE . 72.9 p -94.55 -13.96 25.51 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.829 0.852 . . . . 73.049999999999997 112.732 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 60.1 tttp 70.74 29.45 3.2 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 124.58 1.152 . . . . 62.32 111.535 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 73.0 mt -74.29 124.42 26.41 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 121.453 -0.779 . . . . 72.450000000000003 110.654 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -75.03 -49.02 21.18 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.929 0.892 . . . . 73.510000000000005 110.798 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.76 136.26 43.79 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.111 0.965 . . . . 63.439999999999998 110.546 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -68.34 -23.93 64.75 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.788 0.835 . . . . 73.519999999999996 111.925 176.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -52.82 -32.91 46.69 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.199 1.0 . . . . 65.109999999999999 112.452 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -73.99 -35.41 64.45 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 124.301 1.04 . . . . 75.030000000000001 111.491 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.81 -42.48 75.72 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.948 0.899 . . . . 75.510000000000005 112.101 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -62.64 -33.91 75.99 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.389 0.676 . . . . 64.430000000000007 112.325 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -73.47 -36.7 65.89 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 123.303 0.641 . . . . 71.340000000000003 111.184 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . 0.447 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -69.12 -50.09 36.19 Favored Glycine 0 CA--C 1.538 1.519 0 CA-C-N 116.526 -0.306 . . . . 74.120000000000005 112.491 174.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.15 -36.32 77.28 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.824 1.249 . . . . 73.329999999999998 111.823 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.35 -31.12 79.81 Favored Glycine 0 N--CA 1.473 1.155 0 CA-C-N 115.502 -0.772 . . . . 51.5 112.585 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' TRP . . . . . 0.424 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 10.7 t-105 -75.83 -28.22 58.18 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 123.716 0.807 . . . . 72.329999999999998 111.196 176.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.543 HD23 HG11 ' B' ' 55' ' ' VAL . 6.5 mp -70.56 -36.73 73.79 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.229 0.612 . . . . 75.099999999999994 110.639 171.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.509 HD21 HG23 ' B' ' 57' ' ' THR . 86.4 mt -71.47 -37.48 71.34 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.843 0.857 . . . . 53.119999999999997 112.171 177.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.623 ' HG3' ' HG3' ' B' ' 52' ' ' GLU . 5.9 ptt180 -59.76 -36.03 75.81 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 112.142 0.423 . . . . 74.430000000000007 112.142 -178.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.623 ' HG3' ' HG3' ' B' ' 51' ' ' ARG . 45.5 mt-10 -101.74 -2.26 30.58 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.747 0.819 . . . . 73.120000000000005 111.905 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 34.5 t70 64.18 27.8 14.0 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 124.28 1.032 . . . . 72.230000000000004 111.802 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.49 ' HE3' ' HB2' ' B' ' 52' ' ' GLU . 16.2 ptpt -82.34 0.2 42.83 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 121.33 -0.856 . . . . 73.200000000000003 111.695 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.543 HG11 HD23 ' B' ' 49' ' ' LEU . 28.9 m -136.12 163.91 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 123.925 0.89 . . . . 71.420000000000002 112.672 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.412 HG13 HG23 ' B' ' 69' ' ' VAL . 15.9 m -116.17 136.04 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.918 1.287 . . . . 73.540000000000006 110.803 168.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . 0.509 HG23 HD21 ' B' ' 50' ' ' LEU . 17.0 p -103.82 148.17 26.43 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.545 0.688 . . . . 74.430000000000007 112.75 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 67.9 m -149.08 171.31 16.63 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.744 1.617 . . . . 72.030000000000001 109.312 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -122.67 123.94 42.28 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 122.057 -0.402 . . . . 73.329999999999998 109.931 172.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 64.7 t -110.28 108.09 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.529 0.732 . . . . 62.32 109.332 172.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 57.7 36.03 26.2 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.984 1.313 . . . . 51.310000000000002 113.42 172.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.95 7.89 83.19 Favored Glycine 0 N--CA 1.48 1.628 0 N-CA-C 114.584 0.593 . . . . 64.349999999999994 114.584 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -117.92 147.33 43.23 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.678 0.791 . . . . 72.0 110.024 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 61.6 mt -71.11 122.35 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 122.638 0.375 . . . . 52.409999999999997 110.841 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -114.24 134.33 55.0 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 108.682 -0.859 . . . . 54.310000000000002 108.682 170.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.2 149.11 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 122.86 0.464 . . . . 61.140000000000001 110.715 176.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -138.23 158.67 43.84 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.073 0.949 . . . . 72.510000000000005 108.877 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 78.8 mt -67.0 144.34 56.26 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 119.102 0.864 . . . . 73.310000000000002 110.911 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.412 HG23 HG13 ' B' ' 56' ' ' VAL . 6.7 p . . . . . 0 N--CA 1.496 1.849 0 C-N-CA 123.775 0.83 . . . . 75.230000000000004 112.961 -174.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 N--CA 1.498 1.952 0 CA-C-O 120.722 0.296 . . . . 55.509999999999998 111.276 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -60.35 -50.16 74.72 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.592 1.157 . . . . 62.409999999999997 111.842 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -74.22 -50.56 18.61 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.982 0.913 . . . . 73.310000000000002 112.123 -170.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -59.18 -32.62 70.08 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.297 0.48 . . . . 64.239999999999995 112.297 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.5 -32.87 65.45 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.095 0.558 . . . . 64.140000000000001 111.497 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.19 -38.14 47.37 Favored Glycine 0 CA--C 1.536 1.353 0 CA-C-N 115.715 -0.675 . . . . 34.340000000000003 113.681 175.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.77 -49.79 60.54 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.167 0.587 . . . . 74.209999999999994 111.451 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.0 mt -58.33 -38.9 78.07 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.296 1.038 . . . . 74.140000000000001 111.038 174.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.572 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -57.23 -45.99 83.39 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.782 0.66 . . . . 42.009999999999998 112.782 177.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -52.86 50.62 Favored Glycine 0 C--N 1.345 1.039 0 CA-C-N 115.655 -0.702 . . . . 71.040000000000006 113.611 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -68.42 -33.18 73.75 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 112.877 0.695 . . . . 74.140000000000001 112.877 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.442 HD12 ' HA3' ' A' ' 45' ' ' GLY . 84.2 mt -66.92 -49.63 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 122.515 0.326 . . . . 63.409999999999997 111.03 175.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.422 ' NE1' ' HB3' ' A' ' 54' ' ' LYS . 84.6 t90 -61.36 -44.51 97.04 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.062 0.545 . . . . 75.329999999999998 111.709 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -62.0 -32.7 73.2 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.2 0.6 . . . . 75.040000000000006 112.186 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.57 -31.35 62.04 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.995 0.518 . . . . 75.329999999999998 111.591 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.7 mt -75.2 -25.98 58.63 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.612 0.765 . . . . 64.420000000000002 111.864 173.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -74.29 139.07 43.99 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 121.038 0.447 . . . . 72.019999999999996 112.038 -173.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.44 -1.06 81.53 Favored Glycine 0 C--N 1.346 1.134 0 CA-C-N 115.725 -0.671 . . . . 55.119999999999997 113.055 -175.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 p -126.63 178.85 5.64 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.257 0.623 . . . . 64.430000000000007 110.376 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -82.31 2.55 31.61 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 112.574 0.583 . . . . 71.549999999999997 112.574 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.442 ' HA3' ' HA ' ' A' ' 67' ' ' LYS . . . 98.68 144.1 16.13 Favored Glycine 0 C--N 1.35 1.306 0 CA-C-O 120.194 -0.225 . . . . 22.120000000000001 112.629 -170.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.538 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 3.1 mm? -116.82 163.96 15.38 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 117.582 0.691 . . . . 72.409999999999997 112.061 -173.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.3 p -81.39 165.4 21.35 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 115.699 -0.682 . . . . 74.310000000000002 110.154 172.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -52.67 -41.01 63.45 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.139 0.576 . . . . 73.030000000000001 111.763 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -60.25 -52.18 66.4 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.483 0.713 . . . . 72.129999999999995 112.665 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 16.6 mm-40 -66.48 -36.26 82.31 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.166 0.587 . . . . 73.329999999999998 112.366 -176.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.4 mt -65.18 -43.03 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.18 0.592 . . . . 72.109999999999999 110.45 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -68.47 -26.61 65.58 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.798 0.839 . . . . 61.25 111.316 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -70.33 -54.34 12.95 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.262 0.625 . . . . 73.099999999999994 111.103 168.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.23 -35.72 78.01 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.941 0.896 . . . . 62.420000000000002 113.392 -174.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.6 p -102.63 -12.46 17.7 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.643 0.777 . . . . 54.399999999999999 112.083 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt 50.34 41.22 24.28 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 126.152 1.781 . . . . 73.120000000000005 113.857 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.61 137.24 56.6 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 114.89 -1.05 . . . . 74.510000000000005 111.654 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -69.28 -60.37 2.39 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.695 0.798 . . . . 71.129999999999995 110.406 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.86 148.92 21.8 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.171 -0.922 . . . . 60.020000000000003 110.79 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -61.2 -27.31 68.34 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 115.547 -0.751 . . . . 60.310000000000002 110.879 164.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -61.33 -29.02 69.63 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.152 0.981 . . . . 64.010000000000005 112.468 175.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -64.46 -40.29 95.42 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 120.921 0.391 . . . . 70.230000000000004 110.288 173.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -68.3 -36.47 79.4 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.6 -0.727 . . . . 55.229999999999997 111.317 176.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -69.19 -38.3 78.57 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 112.678 0.622 . . . . 72.140000000000001 112.678 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mp -70.42 -42.4 71.64 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 122.614 0.366 . . . . 62.140000000000001 110.909 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.449 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -61.94 -54.51 34.56 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-N 116.308 -0.406 . . . . 73.409999999999997 113.342 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 64.0 tp -61.54 -32.43 72.49 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.02 0.928 . . . . 75.120000000000005 111.751 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.02 -33.16 86.49 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 121.243 0.357 . . . . 71.109999999999999 112.463 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.572 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 21.7 t-105 -77.71 -35.42 52.06 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 122.993 0.517 . . . . 72.239999999999995 110.622 173.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.681 HD23 HG11 ' A' ' 55' ' ' VAL . 6.2 mp -56.77 -33.7 66.87 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.898 -0.501 . . . . 63.240000000000002 111.635 172.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.451 ' O ' ' HE3' ' B' ' 5' ' ' LYS . 93.2 mt -66.74 -43.39 84.28 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 123.362 0.665 . . . . 45.350000000000001 112.029 174.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -73.27 -17.95 61.27 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.788 -0.57 . . . . 75.209999999999994 111.386 178.096 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.495 ' HB3' ' HG3' ' A' ' 54' ' ' LYS . 17.3 mm-40 -83.61 -31.87 26.04 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.244 0.618 . . . . 73.040000000000006 110.195 174.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.4 t0 62.72 31.66 16.51 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.711 1.204 . . . . 42.420000000000002 110.384 -175.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.495 ' HG3' ' HB3' ' A' ' 52' ' ' GLU . 54.2 mtmt -91.77 -4.08 55.4 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 115.159 -0.928 . . . . 64.400000000000006 112.1 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.681 HG11 HD23 ' A' ' 49' ' ' LEU . 30.2 m -127.32 150.75 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 112.88 0.696 . . . . 62.109999999999999 112.88 -177.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.2 t -107.4 122.03 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 108.324 -0.991 . . . . 64.239999999999995 108.324 167.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.405 ' O ' ' SD ' ' B' ' 3' ' ' MET . 27.9 p -103.74 132.07 50.34 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.617 0.599 . . . . 73.349999999999994 112.617 -169.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.4 m -135.34 167.63 20.69 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.449 0.699 . . . . 63.450000000000003 110.578 176.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -127.7 122.84 33.98 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.277 0.631 . . . . 53.149999999999999 109.796 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 67.0 t -115.82 108.51 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.857 0.863 . . . . 51.299999999999997 109.657 -177.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 49.7 49.76 19.5 Favored 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 125.115 1.366 . . . . 73.010000000000005 113.651 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.85 -22.75 39.22 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 115.031 0.773 . . . . 24.530000000000001 115.031 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -107.85 157.12 18.43 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 117.646 0.723 . . . . 72.219999999999999 111.852 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.6 mt -82.53 125.36 39.9 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.302 0 C-N-CA 123.368 0.667 . . . . 63.520000000000003 110.995 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.43 ' CE2' ' HD2' ' A' ' 67' ' ' LYS . 35.3 t80 -124.67 104.02 8.44 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.093 0.957 . . . . 75.439999999999998 109.44 176.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.9 m -108.2 137.68 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-O 121.948 0.88 . . . . 71.049999999999997 112.603 -174.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.442 ' HA ' ' HA3' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -113.07 179.3 4.0 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.168 1.387 . . . . 75.099999999999994 108.333 -177.726 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.445 HD23 HG12 ' A' ' 55' ' ' VAL . 58.0 mt -108.45 149.1 29.23 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.688 -0.632 . . . . 75.439999999999998 112.114 176.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.1 t . . . . . 0 CA--C 1.548 0.87 0 N-CA-C 108.113 -1.069 . . . . 73.140000000000001 108.113 162.02 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . 0.504 ' HG3' ' H ' ' B' ' 5' ' ' LYS . 45.6 tpp . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 111.929 0.344 . . . . 70.230000000000004 111.929 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.47 ' HA ' ' HG3' ' B' ' 7' ' ' LYS . 82.3 mt -63.53 -24.08 67.66 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 112.065 0.394 . . . . 65.319999999999993 112.065 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.504 ' H ' ' HG3' ' B' ' 3' ' ' MET . 23.1 tptm -62.34 -43.62 98.39 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.475 1.11 . . . . 71.209999999999994 111.292 170.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -74.56 -47.06 34.86 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.142 0.577 . . . . 65.200000000000003 111.746 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.47 ' HG3' ' HA ' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -64.67 -25.02 67.77 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.109 0.164 . . . . 73.209999999999994 111.248 177.614 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.14 -44.49 87.86 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.823 0.449 . . . . 65.209999999999994 111.023 170.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.28 -41.5 78.72 Favored Glycine 0 C--N 1.35 1.355 0 CA-C-N 115.885 -0.598 . . . . 61.020000000000003 113.691 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.46 94.62 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.368 0.667 . . . . 74.120000000000005 112.134 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 65.3 mt -68.74 -38.62 80.28 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.473 -0.785 . . . . 74.519999999999996 111.02 175.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.495 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -54.39 -41.15 68.89 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 112.926 0.713 . . . . 71.099999999999994 112.926 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.82 -53.76 43.6 Favored Glycine 0 C--N 1.346 1.113 0 O-C-N 123.595 0.559 . . . . 60.310000000000002 113.451 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -74.65 -29.8 61.38 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 112.761 0.652 . . . . 74.329999999999998 112.761 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.402 HD12 ' HA3' ' B' ' 45' ' ' GLY . 77.9 mt -67.76 -47.65 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 C-N-CA 122.716 0.407 . . . . 61.240000000000002 110.739 175.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -62.69 -41.52 99.15 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.887 0.475 . . . . 72.230000000000004 110.991 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.05 -27.31 67.28 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 112.892 0.701 . . . . 72.219999999999999 112.892 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.97 73.13 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 121.082 0.468 . . . . 51.420000000000002 110.744 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.471 HD22 ' HA2' ' B' ' 24' ' ' GLY . 99.8 mt -76.75 -23.46 52.99 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.836 0.854 . . . . 75.120000000000005 111.944 174.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -79.43 143.37 35.07 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.263 0.625 . . . . 73.239999999999995 110.198 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.29 -13.35 67.5 Favored Glycine 0 CA--C 1.535 1.323 0 CA-C-N 115.866 -0.606 . . . . 73.239999999999995 112.22 -166.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 31.1 p -134.65 -177.39 4.59 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 124.067 0.947 . . . . 74.340000000000003 110.348 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 67' ' ' LYS . 5.4 mp0 -100.75 25.07 8.28 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.34 0.656 . . . . 62.229999999999997 110.862 177.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.703 ' HA3' ' HA ' ' B' ' 67' ' ' LYS . . . 98.08 173.77 33.02 Favored Glycine 0 CA--C 1.536 1.347 0 N-CA-C 115.384 0.914 . . . . 63.140000000000001 115.384 177.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 88.3 mt -150.41 167.22 27.75 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 124.985 1.314 . . . . 62.420000000000002 110.106 -174.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 65' ' ' PHE . 39.0 p -78.59 164.89 24.28 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 109.955 -0.387 . . . . 73.310000000000002 109.955 170.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -49.73 -47.46 50.62 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.219 1.008 . . . . 73.230000000000004 112.045 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -68.42 -35.74 78.07 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 124.178 0.991 . . . . 70.310000000000002 112.121 -178.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . 0.455 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 97.6 mt-30 -73.17 -33.67 65.59 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.091 0.556 . . . . 64.019999999999996 112.054 176.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.5 mt -67.6 -43.66 86.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 123.253 0.621 . . . . 74.329999999999998 110.414 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -59.81 -27.36 66.52 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.749 0.819 . . . . 73.420000000000002 112.211 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -69.95 -43.27 71.9 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 123.786 0.834 . . . . 62.109999999999999 111.366 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.59 -41.79 44.93 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.597 0.759 . . . . 71.120000000000005 112.434 -177.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 77.4 p -81.62 -17.21 48.98 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.829 0.852 . . . . 63.32 112.718 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm 69.28 20.52 7.41 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.961 1.304 . . . . 73.519999999999996 112.106 -176.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 71.3 mt -72.49 110.11 6.64 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.999 0.52 . . . . 72.340000000000003 110.541 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -67.14 -48.49 67.89 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.116 0.966 . . . . 71.409999999999997 111.338 177.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.2 147.18 28.18 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 121.423 0.63 . . . . 51.420000000000002 112.146 -177.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -69.82 -36.22 75.44 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.817 0.847 . . . . 73.540000000000006 110.721 171.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -53.66 -44.57 69.77 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 125.696 1.598 . . . . 74.450000000000003 113.957 -174.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.21 -31.63 70.36 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.069 -0.514 . . . . 51.240000000000002 111.33 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -65.28 -42.32 93.3 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 116.067 -0.515 . . . . 75.150000000000006 111.627 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -62.27 -46.01 90.72 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 112.512 0.56 . . . . 74.109999999999999 112.512 -175.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mp -68.17 -39.74 82.49 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.921 0.489 . . . . 74.120000000000005 111.195 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . 0.465 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -61.63 -48.37 84.83 Favored Glycine 0 CA--C 1.539 1.544 0 CA-C-N 116.568 -0.287 . . . . 42.409999999999997 112.893 173.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.06 -34.3 76.0 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.204 1.002 . . . . 70.439999999999998 111.689 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.67 -31.87 82.25 Favored Glycine 0 N--CA 1.471 0.976 0 CA-C-N 116.097 -0.501 . . . . 61.240000000000002 112.102 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' TRP . . . . . 0.495 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 12.0 t-105 -78.7 -29.98 45.77 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 123.461 0.705 . . . . 74.150000000000006 111.337 176.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.607 HD23 HG11 ' B' ' 55' ' ' VAL . 6.6 mp -64.8 -40.81 95.83 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 122.844 0.458 . . . . 71.120000000000005 110.867 170.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.3 mt -72.42 -34.15 67.63 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.172 0.989 . . . . 51.329999999999998 111.968 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -62.96 -26.7 68.96 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 122.761 0.424 . . . . 75.409999999999997 111.781 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.476 ' HB2' ' HE2' ' B' ' 54' ' ' LYS . 52.0 mt-10 -106.97 -4.27 19.24 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.459 0.704 . . . . 73.239999999999995 112.216 176.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 62.9 35.09 13.72 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.918 0.887 . . . . 71.340000000000003 111.67 175.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.476 ' HE2' ' HB2' ' B' ' 52' ' ' GLU . 47.9 mtmt -86.46 -8.66 57.42 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.634 0.774 . . . . 64.549999999999997 111.799 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.607 HG11 HD23 ' B' ' 49' ' ' LEU . 33.3 m -133.01 155.44 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 123.202 0.601 . . . . 60.109999999999999 112.276 -178.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 47.0 t -111.43 124.95 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.976 0.911 . . . . 54.329999999999998 109.24 169.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 26.6 p -103.26 146.33 28.6 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 121.676 0.75 . . . . 74.040000000000006 111.86 -176.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 64.1 m -149.17 172.56 14.63 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.002 1.321 . . . . 64.150000000000006 109.576 -174.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -116.17 109.25 17.2 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.964 -0.46 . . . . 54.219999999999999 110.374 175.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 74.6 t -117.8 123.54 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.834 0.853 . . . . 53.130000000000003 110.223 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 61.75 35.66 16.67 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.313 1.045 . . . . 74.409999999999997 111.796 174.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.43 -27.26 4.73 Favored Glycine 0 CA--C 1.534 1.272 0 CA-C-N 115.885 -0.598 . . . . 73.209999999999994 114.541 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -96.52 174.7 6.71 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.653 0.739 . . . . 74.25 112.251 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 62.4 mt -77.71 138.83 19.65 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.154 0 CA-C-N 115.434 -0.803 . . . . 64.409999999999997 111.104 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' PHE . . . . . 0.463 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 86.3 t80 -116.76 135.25 53.91 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.341 1.056 . . . . 75.439999999999998 108.873 171.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 48.7 t -131.05 113.01 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 123.321 0.649 . . . . 73.319999999999993 109.855 -177.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.703 ' HA ' ' HA3' ' B' ' 24' ' ' GLY . 15.6 pttp -110.73 169.16 8.94 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 109.314 -0.624 . . . . 74.0 109.314 174.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.419 HD23 HG12 ' B' ' 55' ' ' VAL . 48.1 mt -88.06 150.68 23.25 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 118.488 0.586 . . . . 61.539999999999999 111.383 176.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 109.125 -0.695 . . . . 72.209999999999994 109.125 166.126 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.0 tp . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 112.249 0.463 . . . . 54.049999999999997 112.249 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -73.7 -45.3 53.1 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 123.269 0.628 . . . . 72.049999999999997 111.515 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.76 -32.07 59.79 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 112.297 0.48 . . . . 72.099999999999994 112.297 -174.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -28.32 68.48 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 120.739 0.304 . . . . 74.400000000000006 110.75 175.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.74 -40.64 93.15 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.353 0.661 . . . . 62.130000000000003 110.739 170.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.84 -35.76 65.81 Favored Glycine 0 CA--C 1.543 1.792 0 CA-C-N 115.908 -0.587 . . . . 72.049999999999997 114.118 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.2 -46.09 88.65 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.258 0.623 . . . . 74.230000000000004 111.608 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.542 HD13 ' HB3' ' A' ' 41' ' ' ASP . 70.5 mt -72.58 -31.69 65.41 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.644 0.778 . . . . 72.450000000000003 111.116 177.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.12 -44.88 75.41 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.146 0.979 . . . . 74.400000000000006 112.315 176.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.6 -49.0 67.41 Favored Glycine 0 CA--C 1.535 1.334 0 CA-C-N 115.372 -0.831 . . . . 35.530000000000001 113.401 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.514 HE21 ' HA ' ' A' ' 11' ' ' LEU . 44.7 mt-30 -62.34 -43.93 97.67 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.969 0.908 . . . . 73.109999999999999 112.208 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.548 HG23 HG21 ' A' ' 30' ' ' ILE . 86.3 mt -64.36 -42.79 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 123.583 0.753 . . . . 74.200000000000003 111.318 178.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -58.73 -44.78 90.54 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 123.802 0.841 . . . . 73.150000000000006 110.917 175.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.68 -30.26 69.75 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.88 0.872 . . . . 73.430000000000007 112.637 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.0 79.72 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 121.272 0.558 . . . . 64.239999999999995 110.751 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.457 HD12 HD13 ' A' ' 25' ' ' LEU . 6.1 mp -81.94 -20.64 38.23 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.213 1.005 . . . . 73.120000000000005 111.921 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -67.02 120.71 14.1 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 122.966 0.506 . . . . 75.25 111.448 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.46 16.07 79.95 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 115.946 -0.57 . . . . 64.319999999999993 114.282 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.1 p -122.55 169.17 11.28 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.189 0.596 . . . . 72.219999999999999 111.238 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -87.73 10.5 18.09 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.398 0.679 . . . . 74.040000000000006 112.38 172.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.491 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 104.36 152.56 22.29 Favored Glycine 0 C--N 1.346 1.139 0 N-CA-C 114.662 0.625 . . . . 44.340000000000003 114.662 175.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.457 HD13 HD12 ' A' ' 19' ' ' LEU . 5.5 mp -129.08 153.01 48.06 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 124.156 0.982 . . . . 63.439999999999998 109.595 -178.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.9 p -87.74 172.91 9.32 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.323 0.649 . . . . 64.219999999999999 110.394 174.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -59.58 -34.82 73.19 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 112.332 0.493 . . . . 62.109999999999999 112.332 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -62.95 -46.48 87.57 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.665 0.786 . . . . 71.439999999999998 112.255 172.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.426 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 52.4 mt-30 -66.26 -47.86 72.35 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.304 0.642 . . . . 74.409999999999997 112.421 -177.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.548 HG21 HG23 ' A' ' 15' ' ' ILE . 57.5 mt -69.75 -44.92 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 123.331 0.652 . . . . 72.349999999999994 111.841 -176.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -53.18 -42.53 66.32 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.894 0.877 . . . . 73.319999999999993 111.544 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -70.15 -45.78 66.08 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 123.857 0.863 . . . . 64.420000000000002 111.57 173.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.18 -22.94 63.88 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 113.355 0.872 . . . . 71.310000000000002 113.355 -174.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.6 p -107.81 -7.04 16.43 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 124.075 0.95 . . . . 71.140000000000001 111.433 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt 66.66 29.19 8.89 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.902 1.281 . . . . 75.25 111.798 176.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.02 119.06 10.72 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.906 0.482 . . . . 64.519999999999996 111.588 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -55.4 -37.66 67.89 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.655 1.182 . . . . 72.140000000000001 112.224 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -133.49 147.68 51.66 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.757 0.823 . . . . 71.439999999999998 110.849 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.5 -24.2 66.43 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 115.17 -0.923 . . . . 70.349999999999994 111.645 170.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -60.36 -35.29 75.35 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.903 0.881 . . . . 73.230000000000004 112.201 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.542 ' HB3' HD13 ' A' ' 11' ' ' LEU . 25.3 m-20 -66.25 -38.14 87.16 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.714 0.806 . . . . 70.099999999999994 110.632 173.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -67.87 -42.02 81.93 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 114.971 -1.013 . . . . 75.120000000000005 112.693 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -63.47 -39.53 94.71 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 122.886 0.475 . . . . 61.399999999999999 112.141 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -71.36 -35.83 71.28 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.392 0.677 . . . . 61.439999999999998 111.038 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.49 -59.52 8.71 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 116.194 -0.457 . . . . 62.229999999999997 113.428 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -29.31 70.19 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.0 0.52 . . . . 60.100000000000001 110.413 177.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.79 -29.98 71.64 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-N 116.046 -0.525 . . . . 75.019999999999996 112.517 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.622 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 10.8 t-105 -72.79 -41.58 64.83 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 122.595 0.358 . . . . 74.439999999999998 110.548 171.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.696 HD23 HG11 ' A' ' 55' ' ' VAL . 6.1 mp -56.25 -30.1 61.95 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 123.941 0.896 . . . . 55.43 112.435 176.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.0 mt -67.0 -39.52 87.13 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.692 0.797 . . . . 70.219999999999999 112.448 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.622 ' HE ' ' HA ' ' A' ' 48' ' ' TRP . 15.3 ptp180 -73.92 -25.92 60.24 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 121.014 0.435 . . . . 73.519999999999996 110.793 178.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -78.69 -27.9 45.12 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.415 0.686 . . . . 74.099999999999994 110.318 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 56.05 27.71 11.76 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.885 1.274 . . . . 55.109999999999999 112.205 -174.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -85.91 -1.25 57.11 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 115.733 -0.667 . . . . 74.519999999999996 110.979 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.696 HG11 HD23 ' A' ' 49' ' ' LEU . 28.0 m -128.09 152.69 36.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 123.786 0.835 . . . . 62.509999999999998 111.933 176.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 p -114.1 127.43 71.52 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 124.27 1.028 . . . . 74.209999999999994 109.669 167.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.613 ' HB ' HD12 ' B' ' 4' ' ' LEU . 52.2 p -105.95 133.25 50.96 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.959 0.904 . . . . 72.340000000000003 110.92 -174.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.41 ' HB3' ' HD2' ' A' ' 65' ' ' PHE . 38.6 t -122.33 143.42 49.65 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.963 0.905 . . . . 74.209999999999994 110.194 174.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -95.14 104.05 15.92 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 109.342 -0.614 . . . . 75.25 109.342 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.3 t -111.08 108.28 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 123.457 0.703 . . . . 72.430000000000007 110.21 -177.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 57.98 38.92 26.88 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.889 1.276 . . . . 72.439999999999998 112.863 171.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.35 -1.92 86.2 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 114.782 0.673 . . . . 72.340000000000003 114.782 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -114.59 160.34 19.39 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.554 0.742 . . . . 61.109999999999999 112.005 -177.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.41 HG23 HD13 ' B' ' 4' ' ' LEU . 63.0 mt -82.82 113.62 22.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 115.185 -0.916 . . . . 62.439999999999998 111.561 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.41 ' HD2' ' HB3' ' A' ' 58' ' ' SER . 73.8 t80 -106.27 128.58 54.08 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 107.584 -1.265 . . . . 74.420000000000002 107.584 165.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.445 HG13 HD21 ' A' ' 19' ' ' LEU . 7.1 p -139.68 143.23 30.96 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-O 120.866 0.365 . . . . 60.210000000000001 111.164 -177.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.491 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 21.4 ptmt -143.05 167.45 22.04 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.652 0.781 . . . . 75.329999999999998 109.626 174.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.451 HD23 HG12 ' A' ' 55' ' ' VAL . 24.6 mt -68.6 149.27 49.36 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 118.421 0.555 . . . . 53.409999999999997 111.172 173.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.3 t . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 109.42 -0.585 . . . . 63.530000000000001 109.42 170.483 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.7 tpt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 112.601 0.593 . . . . 44.130000000000003 112.601 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.613 HD12 ' HB ' ' A' ' 57' ' ' THR . 96.7 mt -61.79 -42.73 99.37 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.39 1.076 . . . . 64.019999999999996 112.602 177.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -68.87 -39.75 79.67 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.292 -0.413 . . . . 73.219999999999999 111.77 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -67.13 -43.03 83.41 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 116.339 -0.392 . . . . 75.340000000000003 112.019 -176.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.419 ' HE2' ' HA ' ' B' ' 4' ' ' LEU . 0.1 OUTLIER -63.5 -39.36 94.24 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.306 0.243 . . . . 74.040000000000006 110.98 178.564 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.55 -34.72 77.5 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.613 0.765 . . . . 64.239999999999995 110.906 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.36 -35.72 59.91 Favored Glycine 0 CA--C 1.539 1.531 0 CA-C-N 115.394 -0.821 . . . . 75.540000000000006 113.463 175.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.43 -43.22 86.27 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.783 0.833 . . . . 74.209999999999994 111.566 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.594 ' HA ' HE21 ' B' ' 14' ' ' GLN . 59.2 mt -68.81 -35.69 77.31 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.907 0.883 . . . . 75.530000000000001 110.669 175.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.462 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -55.98 -52.09 65.41 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.41 1.084 . . . . 64.219999999999999 112.799 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.78 -40.91 73.54 Favored Glycine 0 CA--C 1.532 1.131 0 O-C-N 123.834 0.709 . . . . 73.209999999999994 113.851 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.594 HE21 ' HA ' ' B' ' 11' ' ' LEU . 32.5 mt-30 -65.01 -48.33 74.3 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.176 0.591 . . . . 73.549999999999997 110.922 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.52 HG23 HG21 ' B' ' 30' ' ' ILE . 66.4 mt -62.89 -42.76 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.904 0.881 . . . . 72.510000000000005 111.843 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . 0.449 ' HE1' ' HB3' ' B' ' 54' ' ' LYS . 79.7 t90 -66.0 -43.07 88.84 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.357 0.663 . . . . 74.510000000000005 111.329 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -61.09 -34.28 74.68 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.195 0.598 . . . . 52.409999999999997 112.195 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.01 -37.83 88.87 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.002 0.521 . . . . 63.109999999999999 111.373 173.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.639 HD21 HD11 ' B' ' 30' ' ' ILE . 95.5 mt -79.45 -24.99 42.05 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.941 0.896 . . . . 74.319999999999993 112.233 179.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -68.66 132.78 47.46 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.58 0.752 . . . . 74.129999999999995 111.449 -175.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.15 5.85 87.37 Favored Glycine 0 CA--C 1.542 1.756 0 CA-C-N 116.205 -0.452 . . . . 72.430000000000007 113.699 -176.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.2 m -126.9 158.61 36.3 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.788 0.835 . . . . 75.219999999999999 110.888 -173.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -72.57 -11.43 60.65 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.928 0.891 . . . . 75.430000000000007 112.807 177.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.98 150.14 7.58 Favored Glycine 0 N--CA 1.475 1.243 0 C-N-CA 123.428 0.537 . . . . 70.109999999999999 112.87 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.408 HD13 HD23 ' B' ' 19' ' ' LEU . 6.6 mp -126.72 157.98 37.65 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.735 0.814 . . . . 72.450000000000003 110.156 -178.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 34.3 p -81.14 172.46 13.64 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 116.298 -0.41 . . . . 70.530000000000001 110.466 171.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 53.6 tt0 -57.93 -47.96 81.34 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.054 0.542 . . . . 74.340000000000003 110.649 175.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.94 -46.88 78.38 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.447 1.099 . . . . 73.439999999999998 111.918 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -63.93 -40.86 97.43 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.239 0.616 . . . . 74.409999999999997 111.845 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.639 HD11 HD21 ' B' ' 19' ' ' LEU . 69.6 mt -70.44 -42.49 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.004 0.522 . . . . 71.439999999999998 111.7 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.408 ' HE2' ' O ' ' B' ' 36' ' ' LEU . 12.9 mmmm -55.77 -39.93 71.92 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 123.336 0.655 . . . . 74.409999999999997 111.197 176.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -49.36 48.55 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-N 115.12 -0.946 . . . . 74.340000000000003 110.816 176.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.69 89.75 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 123.826 0.85 . . . . 70.230000000000004 112.675 -176.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 50.6 p -90.37 -12.15 38.44 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.682 1.193 . . . . 64.409999999999997 112.121 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.05 34.69 4.97 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.205 1.002 . . . . 35.420000000000002 112.195 176.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.408 ' O ' ' HE2' ' B' ' 31' ' ' LYS . 92.5 mt -80.61 138.3 36.43 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 109.263 -0.643 . . . . 70.409999999999997 109.263 176.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -85.51 -52.29 5.94 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.054 0.454 . . . . 62.210000000000001 111.215 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -95.17 141.71 28.46 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.515 0.726 . . . . 44.0 111.055 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -58.97 -27.26 65.21 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.78 0.832 . . . . 74.109999999999999 111.44 171.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -52.33 -40.91 62.52 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.898 1.279 . . . . 71.349999999999994 112.288 172.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -63.48 -37.7 88.3 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.162 0.585 . . . . 74.019999999999996 110.944 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -66.72 -46.16 76.39 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.068 -0.969 . . . . 74.209999999999994 111.72 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -69.82 -35.97 75.24 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 112.649 0.611 . . . . 71.019999999999996 112.649 -175.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp -72.69 -40.4 66.25 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.095 0.558 . . . . 54.140000000000001 111.279 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.64 -55.97 15.23 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 116.26 -0.427 . . . . 72.019999999999996 112.872 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.571 HD11 HG21 ' B' ' 66' ' ' VAL . 57.6 tp -58.32 -35.92 72.59 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.159 0.984 . . . . 62.229999999999997 112.198 176.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.91 -32.1 83.05 Favored Glycine 0 N--CA 1.474 1.23 0 CA-C-N 115.871 -0.604 . . . . 53.219999999999999 112.257 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' TRP . . . . . 0.555 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 27.6 t-105 -75.43 -34.25 60.97 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.301 0.641 . . . . 63.5 110.535 173.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.677 HD23 HG11 ' B' ' 55' ' ' VAL . 6.6 mp -61.38 -32.81 72.74 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.9 -0.5 . . . . 53.329999999999998 111.43 172.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.56 -39.4 77.43 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.551 0.74 . . . . 72.230000000000004 111.723 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' B' ' 48' ' ' TRP . 0.0 OUTLIER -74.44 -24.45 59.07 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-N 117.865 0.302 . . . . 72.340000000000003 111.319 177.497 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -80.29 -18.15 50.11 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.47 0.708 . . . . 63.409999999999997 110.663 171.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.91 17.27 10.77 Favored 'General case' 0 CA--C 1.56 1.327 0 C-N-CA 125.195 1.398 . . . . 73.420000000000002 111.63 176.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.449 ' HB3' ' HE1' ' B' ' 16' ' ' TRP . 9.9 mtmp? -85.65 -5.85 59.22 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.929 0.892 . . . . 73.340000000000003 113.135 -175.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.677 HG11 HD23 ' B' ' 49' ' ' LEU . 22.8 m -134.68 163.91 35.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.495 0.664 . . . . 71.099999999999994 112.761 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 p -135.27 133.64 52.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 124.786 1.234 . . . . 71.150000000000006 109.71 174.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 68.4 p -105.11 133.73 49.4 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.726 0.811 . . . . 43.43 110.521 -173.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 92.5 p -126.97 159.81 32.94 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.878 0.871 . . . . 55.140000000000001 110.577 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -98.4 105.0 17.09 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.463 0.705 . . . . 73.430000000000007 110.805 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.5 t -114.79 109.69 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.188 0.595 . . . . 72.120000000000005 110.713 172.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 58.85 35.69 24.34 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.863 1.265 . . . . 74.409999999999997 113.88 168.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.95 10.45 83.97 Favored Glycine 0 CA--C 1.54 1.63 0 N-CA-C 113.841 0.297 . . . . 64.439999999999998 113.841 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -125.75 153.52 43.84 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.384 1.074 . . . . 73.430000000000007 111.388 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 61.2 mt -78.16 113.84 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 123.11 0.564 . . . . 43.210000000000001 110.369 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -111.43 110.6 21.13 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.375 -0.972 . . . . 70.329999999999998 108.375 172.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.571 HG21 HD11 ' B' ' 46' ' ' LEU . 7.5 p -116.16 149.21 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 122.931 0.492 . . . . 71.239999999999995 110.872 -176.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -146.07 166.53 25.84 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.06 0.944 . . . . 74.319999999999993 109.743 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.428 HD23 HG12 ' B' ' 55' ' ' VAL . 45.4 mt -76.17 155.3 34.69 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 122.17 -0.331 . . . . 54.420000000000002 111.426 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 26.2 t . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 122.265 1.031 . . . . 74.430000000000007 110.548 174.664 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.455 HD23 ' HB2' ' B' ' 59' ' ' GLU . 0.3 OUTLIER . . . . . 0 CA--C 1.566 1.559 0 N-CA-C 113.385 0.883 . . . . 51.409999999999997 113.385 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -75.73 -37.94 58.93 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.131 0.572 . . . . 64.230000000000004 110.37 176.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -63.42 -42.53 98.72 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.784 0.802 . . . . 74.010000000000005 109.961 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -59.15 -47.95 83.42 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 114.22 -1.354 . . . . 72.010000000000005 111.753 172.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.03 -34.15 71.58 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.862 0.865 . . . . 73.230000000000004 111.777 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.64 -33.99 63.26 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-N 114.985 -1.007 . . . . 44.329999999999998 113.217 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.93 -45.42 67.55 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.519 0.727 . . . . 65.450000000000003 111.192 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.435 ' HA ' HE21 ' A' ' 14' ' ' GLN . 92.8 mt -61.56 -31.08 71.1 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 124.081 0.952 . . . . 70.109999999999999 111.455 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -56.04 -45.2 79.26 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.448 0.907 . . . . 63.439999999999998 113.448 177.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.18 -52.89 46.49 Favored Glycine 0 CA--C 1.535 1.309 0 O-C-N 123.686 0.616 . . . . 53.119999999999997 114.242 -175.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.435 HE21 ' HA ' ' A' ' 11' ' ' LEU . 29.0 pt20 -67.35 -37.69 83.64 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 123.407 0.683 . . . . 73.409999999999997 112.253 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.666 HD12 ' HA3' ' A' ' 45' ' ' GLY . 61.9 mt -65.94 -41.96 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 123.172 0.589 . . . . 75.120000000000005 111.308 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -62.28 -46.15 90.06 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.258 0.623 . . . . 75.409999999999997 111.109 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.28 -26.79 68.24 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.444 0.698 . . . . 75.310000000000002 112.381 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.95 -37.65 81.84 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.218 0.607 . . . . 42.329999999999998 110.903 173.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.5 mt -79.55 -24.55 42.06 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.245 1.018 . . . . 63.530000000000001 112.413 175.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.407 ' HA ' HD11 ' A' ' 68' ' ' LEU . 25.1 t-20 -71.12 121.13 17.73 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.189 0.596 . . . . 74.010000000000005 111.819 -172.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.86 -2.85 44.97 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-N 115.905 -0.589 . . . . 71.219999999999999 114.343 -175.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.0 p -125.95 176.17 7.18 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 117.88 0.84 . . . . 74.019999999999996 111.518 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -81.33 -1.64 46.11 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.627 0.771 . . . . 73.439999999999998 112.043 175.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.32 152.65 8.68 Favored Glycine 0 C--N 1.346 1.086 0 C-N-CA 123.161 0.41 . . . . 64.439999999999998 112.51 -173.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.523 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 98.3 mt -129.91 160.92 32.09 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.629 0.772 . . . . 64.049999999999997 111.076 -177.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.3 p -80.98 164.65 22.39 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.587 0.755 . . . . 73.430000000000007 110.805 170.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -60.78 -28.28 68.63 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 122.7 0.4 . . . . 55.299999999999997 111.817 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -56.11 -53.79 52.8 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.751 0.821 . . . . 72.519999999999996 112.024 168.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.523 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 15.5 mm-40 -72.83 -39.74 66.35 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.718 0.807 . . . . 64.129999999999995 112.297 -173.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.5 -52.94 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.436 0.694 . . . . 75.340000000000003 110.97 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.524 ' HG3' ' HB2' ' A' ' 36' ' ' LEU . 3.5 ttpm? -61.51 -35.05 76.6 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.651 0.78 . . . . 74.340000000000003 111.752 -177.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -67.55 -48.84 65.79 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 123.425 0.69 . . . . 75.140000000000001 111.608 175.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.35 99.03 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.414 0.686 . . . . 51.329999999999998 111.786 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.431 ' OG1' ' HG ' ' A' ' 36' ' ' LEU . 76.9 p -85.2 -9.06 58.25 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.403 1.081 . . . . 71.540000000000006 112.614 -177.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt 68.6 23.79 7.12 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.495 1.118 . . . . 73.5 112.007 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.524 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 79.1 mt -69.94 152.14 44.82 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.03 0.532 . . . . 75.150000000000006 110.474 178.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.467 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -96.39 -29.65 13.83 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.277 0.631 . . . . 74.329999999999998 111.429 -167.743 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.15 167.6 21.8 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.885 0.874 . . . . 62.229999999999997 111.674 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -61.93 -29.13 70.01 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.701 1.2 . . . . 61.25 111.438 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -43.57 76.97 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.561 1.145 . . . . 75.109999999999999 112.505 176.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -64.31 -39.32 93.68 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.602 0.715 . . . . 74.430000000000007 110.706 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -63.55 -43.52 96.82 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 114.353 -1.294 . . . . 74.239999999999995 112.011 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -64.38 -40.15 95.27 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 112.587 0.588 . . . . 73.319999999999993 112.587 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.05 -46.57 88.58 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.538 0.735 . . . . 54.049999999999997 111.671 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.666 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -69.88 -47.6 46.29 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-N 116.198 -0.455 . . . . 42.130000000000003 113.367 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.22 -36.79 78.49 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.856 0.862 . . . . 70.409999999999997 112.1 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.98 -30.9 74.6 Favored Glycine 0 N--CA 1.476 1.302 0 CA-C-N 115.576 -0.738 . . . . 64.430000000000007 112.542 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.584 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 8.7 t-105 -77.7 -35.43 52.12 Favored 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 123.435 0.694 . . . . 74.400000000000006 111.555 177.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.532 HD23 HG11 ' A' ' 55' ' ' VAL . 6.6 mp -61.91 -37.19 83.7 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.188 0.595 . . . . 63.399999999999999 111.036 173.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.9 mt -64.89 -49.33 70.91 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.844 0.858 . . . . 71.340000000000003 112.291 175.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.584 ' HG2' ' HA ' ' A' ' 48' ' ' TRP . 15.4 ptm180 -63.99 -34.78 78.76 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 113.221 0.822 . . . . 54.25 113.221 -174.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.66 6.79 47.13 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 112.162 0.43 . . . . 73.230000000000004 112.162 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.45 31.08 15.19 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.856 0.862 . . . . 70.310000000000002 111.664 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -88.67 -14.84 36.4 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.973 0.909 . . . . 65.530000000000001 111.899 -173.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.532 HG11 HD23 ' A' ' 49' ' ' LEU . 27.5 m -132.52 174.52 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 112.723 0.638 . . . . 75.340000000000003 112.723 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.3 p -131.36 128.95 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.852 0.861 . . . . 64.519999999999996 109.091 160.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.9 p -102.59 148.08 25.99 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.601 0.715 . . . . 73.140000000000001 111.534 -174.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.6 t -146.84 171.34 15.34 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.531 -1.213 . . . . 74.519999999999996 108.953 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.34 122.1 34.45 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.947 0.499 . . . . 65.219999999999999 109.926 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.5 t -115.04 111.45 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.516 1.126 . . . . 54.439999999999998 110.777 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 50.92 43.49 28.64 Favored 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 125.638 1.575 . . . . 60.539999999999999 114.892 169.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.4 -7.63 61.91 Favored Glycine 0 N--CA 1.479 1.563 0 N-CA-C 114.971 0.748 . . . . 71.200000000000003 114.971 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -127.24 162.74 25.5 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 117.715 0.758 . . . . 71.439999999999998 111.547 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.2 mt -82.9 131.27 34.13 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 C-N-CA 123.532 0.733 . . . . 71.400000000000006 111.335 -176.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -119.71 111.29 17.84 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.507 1.123 . . . . 73.519999999999996 108.583 174.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.1 t -103.74 138.08 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.072 0.549 . . . . 72.420000000000002 110.669 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -121.43 168.78 11.3 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.153 0.981 . . . . 71.540000000000006 109.24 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 20' ' ' ASN . 45.8 mt -88.9 -177.87 5.59 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 118.183 0.447 . . . . 55.350000000000001 110.377 167.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.0 t . . . . . 0 N--CA 1.503 2.178 0 CA-C-O 121.948 0.88 . . . . 72.340000000000003 111.567 -178.913 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 113.045 0.758 . . . . 63.539999999999999 113.045 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.74 -22.84 67.11 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 115.193 -0.912 . . . . 74.439999999999998 110.855 171.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -71.57 -44.68 64.07 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.526 0.73 . . . . 70.439999999999998 111.471 171.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -65.83 -42.9 89.99 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.149 0.58 . . . . 71.400000000000006 111.656 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -27.17 62.34 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 122.269 0.227 . . . . 71.150000000000006 111.465 175.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.9 -50.51 68.47 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 123.128 0.571 . . . . 62.0 111.342 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.38 -32.22 78.88 Favored Glycine 0 CA--C 1.535 1.328 0 CA-C-N 115.635 -0.712 . . . . 72.409999999999997 113.725 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.18 -49.2 72.96 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.262 0.625 . . . . 71.230000000000004 111.015 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.492 ' O ' HG12 ' B' ' 15' ' ' ILE . 94.2 mt -63.13 -34.57 77.91 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.576 0.75 . . . . 74.430000000000007 111.451 176.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.411 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -54.19 -31.44 52.9 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.393 0.677 . . . . 44.32 112.628 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.09 -53.68 42.92 Favored Glycine 0 CA--C 1.54 1.635 0 CA-C-N 116.034 -0.53 . . . . 43.009999999999998 113.48 172.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -74.59 -31.12 61.95 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 112.604 0.594 . . . . 65.400000000000006 112.604 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.492 HG12 ' O ' ' B' ' 11' ' ' LEU . 41.9 mm -65.6 -43.69 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 C-N-CA 123.244 0.618 . . . . 72.129999999999995 109.887 175.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -62.92 -45.12 93.98 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 115.514 -0.767 . . . . 72.010000000000005 110.978 173.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -63.69 -29.08 70.35 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.212 0.605 . . . . 43.219999999999999 112.541 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.53 -41.18 93.39 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 122.914 0.486 . . . . 63.229999999999997 110.667 172.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.608 HD21 HG23 ' B' ' 66' ' ' VAL . 92.3 mt -79.68 -15.37 57.69 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.637 0.775 . . . . 71.439999999999998 112.561 175.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . 0.444 ' HA ' HD11 ' B' ' 68' ' ' LEU . 50.4 t30 -71.02 123.95 23.26 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.972 0.509 . . . . 74.400000000000006 110.346 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.03 -2.1 75.12 Favored Glycine 0 CA--C 1.538 1.493 0 CA-C-N 115.963 -0.562 . . . . 51.399999999999999 113.596 -174.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 18.5 p -121.11 162.72 19.57 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 117.515 0.657 . . . . 65.040000000000006 110.629 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -105.15 10.86 33.69 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.004 0.522 . . . . 75.540000000000006 111.164 175.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.506 ' HA2' ' HB3' ' B' ' 67' ' ' LYS . . . 156.47 128.43 1.08 Allowed Glycine 0 C--N 1.352 1.441 0 N-CA-C 114.295 0.478 . . . . 62.439999999999998 114.295 178.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 95.8 mt -132.72 161.41 34.08 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.424 1.09 . . . . 72.530000000000001 109.611 170.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 23.1 p -84.57 171.05 12.79 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 120.744 0.307 . . . . 71.409999999999997 110.255 166.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -56.79 -36.6 70.07 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.185 0.594 . . . . 74.310000000000002 112.131 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' B' ' 32' ' ' LYS . 88.1 mttt -67.56 -45.67 74.95 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.49 1.116 . . . . 71.400000000000006 112.112 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.76 -35.82 81.06 Favored 'General case' 0 N--CA 1.497 1.884 0 C-N-CA 123.054 0.542 . . . . 72.329999999999998 111.948 176.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.408 HG21 HG23 ' B' ' 15' ' ' ILE . 28.3 mt -66.0 -44.58 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 122.932 0.493 . . . . 62.420000000000002 111.343 173.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -59.34 -27.96 66.39 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 122.947 0.499 . . . . 74.540000000000006 112.164 177.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' B' ' 28' ' ' LYS . 14.1 mmmm -70.73 -47.16 61.15 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 122.767 0.427 . . . . 74.099999999999994 111.526 174.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.29 -30.32 67.31 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.341 0.656 . . . . 72.319999999999993 112.501 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 81.4 p -94.99 -21.94 18.27 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.101 0.96 . . . . 64.140000000000001 112.251 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 66.78 28.25 8.96 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 124.878 1.271 . . . . 74.140000000000001 112.034 -176.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 78.1 mt -72.63 128.39 35.41 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 116.08 -0.509 . . . . 70.219999999999999 109.781 172.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -80.0 -45.33 18.61 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.593 0.757 . . . . 75.099999999999994 110.002 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.89 142.37 28.96 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 115.228 -0.896 . . . . 54.43 111.829 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -69.29 -24.95 64.02 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.188 0.995 . . . . 72.25 110.817 170.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -52.91 -41.61 64.58 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.179 1.392 . . . . 64.310000000000002 112.643 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.31 -37.79 77.95 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.316 0.646 . . . . 65.209999999999994 111.057 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -60.27 -48.33 82.18 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 115.976 -0.556 . . . . 73.019999999999996 111.791 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -59.05 -35.41 73.28 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.174 0.59 . . . . 73.519999999999996 112.559 -175.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -73.02 -37.1 67.05 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.407 0.683 . . . . 62.219999999999999 111.546 176.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . 0.445 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -66.4 -54.8 21.28 Favored Glycine 0 CA--C 1.539 1.54 0 CA-C-N 116.59 -0.277 . . . . 55.130000000000003 112.743 175.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 68.6 tp -59.15 -35.34 73.35 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.418 1.087 . . . . 70.239999999999995 112.266 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.31 -33.56 84.94 Favored Glycine 0 N--CA 1.477 1.368 0 CA-C-O 121.45 0.472 . . . . 73.540000000000006 112.498 178.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' TRP . . . . . 0.516 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 9.7 t-105 -77.85 -31.89 51.74 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.398 0.679 . . . . 64.140000000000001 111.233 176.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.618 ' HB3' HG22 ' B' ' 55' ' ' VAL . 7.3 mp -62.34 -37.54 86.04 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.104 0.562 . . . . 54.219999999999999 111.469 172.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 94.2 mt -71.29 -35.6 71.37 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.485 0.714 . . . . 72.329999999999998 112.298 175.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' B' ' 48' ' ' TRP . 0.0 OUTLIER -68.94 -36.37 77.87 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 112.241 0.46 . . . . 74.010000000000005 112.241 -176.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.593 ' HB2' ' HG3' ' B' ' 54' ' ' LYS . 48.8 mt-10 -87.03 -19.23 28.96 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.722 0.409 . . . . 73.140000000000001 111.346 176.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 60.97 50.04 5.4 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 122.483 1.135 . . . . 75.109999999999999 111.071 -168.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.593 ' HG3' ' HB2' ' B' ' 52' ' ' GLU . 23.7 mtpp -76.83 -29.45 55.94 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 113.773 -1.558 . . . . 71.129999999999995 109.528 172.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.618 HG22 ' HB3' ' B' ' 49' ' ' LEU . 17.1 m -132.63 166.9 27.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 CA-C-N 115.201 -0.909 . . . . 73.310000000000002 111.526 -175.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.27 135.93 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.158 1.383 . . . . 55.109999999999999 108.886 167.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . 0.43 HG23 HD11 ' A' ' 4' ' ' LEU . 2.5 t -127.74 152.51 47.66 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.576 0.703 . . . . 72.340000000000003 110.749 -176.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 71.0 m -120.83 139.74 52.73 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 114.693 -1.14 . . . . 62.109999999999999 109.939 -172.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.455 ' HB2' HD23 ' A' ' 4' ' ' LEU . 40.0 tt0 -96.78 101.3 12.87 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 107.648 -1.241 . . . . 74.349999999999994 107.648 177.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 72.3 t -123.65 109.2 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.915 0.886 . . . . 72.049999999999997 110.11 -169.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 53.89 30.89 12.28 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 125.129 1.371 . . . . 75.420000000000002 112.899 176.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.68 -21.4 41.44 Favored Glycine 0 CA--C 1.543 1.844 0 N-CA-C 114.631 0.612 . . . . 74.140000000000001 114.631 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -86.31 141.87 28.92 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.754 0.821 . . . . 71.209999999999994 111.84 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 49.0 mt -85.85 105.1 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.222 0 C-N-CA 123.57 0.748 . . . . 74.409999999999997 110.612 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -105.36 101.94 11.45 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.463 0.705 . . . . 75.450000000000003 110.366 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.608 HG23 HD21 ' B' ' 19' ' ' LEU . 33.8 m -99.53 150.29 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 123.969 0.907 . . . . 73.430000000000007 111.941 -172.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.506 ' HB3' ' HA2' ' B' ' 24' ' ' GLY . 19.3 pttm -158.21 160.43 37.15 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 123.419 0.688 . . . . 64.140000000000001 109.752 177.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.46 HD23 HG12 ' B' ' 55' ' ' VAL . 45.2 mt -65.62 160.23 23.04 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 118.9 0.773 . . . . 64.319999999999993 111.252 175.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 89.2 t . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 121.677 0.751 . . . . 62.329999999999998 109.31 170.277 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.671 0.272 . . . . 54.340000000000003 111.449 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -69.31 -53.71 18.28 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.29 1.036 . . . . 73.150000000000006 111.519 176.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.39 -28.34 67.85 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 122.747 0.419 . . . . 73.349999999999994 111.191 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -67.4 -45.66 75.52 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.385 1.074 . . . . 65.239999999999995 109.529 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.95 84.71 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.913 0.885 . . . . 43.549999999999997 111.674 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.3 -33.71 73.67 Favored Glycine 0 CA--C 1.539 1.559 0 CA-C-N 115.828 -0.624 . . . . 74.420000000000002 114.021 175.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.94 -42.59 85.05 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.241 0.616 . . . . 75.239999999999995 111.037 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.5 mt -64.74 -39.05 92.98 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.97 0.908 . . . . 64.530000000000001 111.088 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.502 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -56.27 -36.43 68.57 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.753 0.821 . . . . 40.340000000000003 112.31 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.52 -39.45 97.35 Favored Glycine 0 CA--C 1.54 1.616 0 CA-C-N 115.74 -0.664 . . . . 65.409999999999997 113.213 172.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -70.26 -53.35 17.31 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.407 0.683 . . . . 74.310000000000002 111.943 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.09 -44.05 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 C-N-CA 123.707 0.803 . . . . 63.32 110.55 -176.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -66.96 -40.34 87.46 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 112.276 0.473 . . . . 72.400000000000006 112.276 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -65.52 -26.36 67.87 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 118.559 0.618 . . . . 74.239999999999995 112.151 175.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.04 -31.31 68.88 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 123.048 0.539 . . . . 75.409999999999997 111.073 171.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.444 HD21 HG13 ' A' ' 66' ' ' VAL . 94.2 mt -85.82 -24.91 26.58 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.156 0.982 . . . . 64.25 112.237 176.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.523 ' HA ' HD11 ' A' ' 68' ' ' LEU . 64.3 t30 -73.18 125.45 27.75 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.151 0.58 . . . . 64.030000000000001 111.188 -173.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.56 11.15 80.52 Favored Glycine 0 CA--C 1.538 1.508 0 CA-C-N 116.008 -0.542 . . . . 74.25 114.132 -175.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.8 p -124.69 168.76 12.73 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.367 0.667 . . . . 64.230000000000004 110.382 176.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -76.03 -12.26 60.1 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 123.231 0.612 . . . . 74.310000000000002 111.46 173.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.57 158.16 7.64 Favored Glycine 0 C--N 1.34 0.776 0 N-CA-C 111.173 -0.771 . . . . 40.310000000000002 111.173 -170.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.4 tp -147.1 148.18 31.33 Favored 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 117.132 0.466 . . . . 72.420000000000002 110.098 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.1 p -85.08 164.2 18.35 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.07 0.548 . . . . 74.150000000000006 111.4 -178.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.489 ' NE2' HD12 ' A' ' 64' ' ' ILE . 35.1 tt0 -52.84 -50.4 63.81 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.987 0.915 . . . . 74.030000000000001 112.696 -178.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -56.29 -48.13 77.25 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.756 0.822 . . . . 75.439999999999998 112.196 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -73.37 -27.08 61.29 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 115.577 -0.738 . . . . 74.219999999999999 112.365 -175.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.2 mt -72.64 -48.13 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 122.806 0.443 . . . . 61.130000000000003 110.38 173.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -61.14 -26.08 67.44 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 123.417 0.687 . . . . 63.539999999999999 111.843 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -66.43 -53.82 31.27 Favored 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 123.983 0.913 . . . . 74.340000000000003 110.985 169.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.15 -26.23 64.77 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.747 0.819 . . . . 61.130000000000003 112.95 -175.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.4 p -98.35 -18.91 18.07 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.301 1.04 . . . . 70.530000000000001 111.922 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt 68.94 26.43 5.76 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 124.63 1.172 . . . . 73.409999999999997 112.208 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.44 102.49 5.2 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.123 -0.489 . . . . 61.299999999999997 110.31 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -61.31 -43.97 97.99 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.265 1.026 . . . . 73.140000000000001 110.822 174.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.96 146.14 28.17 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.37 0.668 . . . . 74.099999999999994 112.306 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.11 -36.28 81.59 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.437 1.095 . . . . 52.420000000000002 111.71 171.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -53.75 -48.29 69.83 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 125.225 1.41 . . . . 73.129999999999995 112.626 -173.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.86 -29.46 70.41 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 114.864 -1.062 . . . . 73.299999999999997 112.218 -176.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -65.11 -45.64 84.3 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.359 -0.382 . . . . 74.420000000000002 110.8 173.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -67.64 -36.62 81.13 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.16 0.584 . . . . 72.120000000000005 112.165 -176.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.86 -41.31 75.03 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.203 0.601 . . . . 73.439999999999998 111.138 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.465 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -65.17 -53.75 31.36 Favored Glycine 0 C--N 1.352 1.463 0 CA-C-N 116.321 -0.4 . . . . 74.430000000000007 113.09 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.416 HD11 HG21 ' A' ' 66' ' ' VAL . 56.8 tp -63.11 -33.69 76.0 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.391 1.077 . . . . 72.310000000000002 111.907 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.39 -31.22 68.59 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-N 115.606 -0.724 . . . . 61.140000000000001 112.825 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.502 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 39.6 t-105 -74.45 -28.43 61.04 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 123.025 0.53 . . . . 72.230000000000004 111.226 177.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.656 HD23 HG11 ' A' ' 55' ' ' VAL . 4.4 mp -62.51 -28.99 70.22 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 123.93 0.892 . . . . 72.150000000000006 111.726 173.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.77 -33.23 75.21 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.691 0.796 . . . . 54.5 112.165 172.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.674 ' HG2' ' HA ' ' B' ' 51' ' ' ARG . 8.2 mtp180 -58.05 -40.03 79.95 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.417 0.627 . . . . 64.019999999999996 111.2 172.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -85.57 -27.14 25.71 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.087 -0.96 . . . . 75.239999999999995 111.27 -175.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 60.0 27.11 16.47 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.573 1.149 . . . . 71.329999999999998 111.418 -174.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -85.06 -3.59 58.85 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.186 -0.915 . . . . 74.349999999999994 111.489 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.656 HG11 HD23 ' A' ' 49' ' ' LEU . 25.6 m -131.82 164.56 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.695 0.798 . . . . 63.149999999999999 111.019 177.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.58 137.77 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.961 0 C-N-CA 124.333 1.053 . . . . 60.240000000000002 109.584 173.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.1 p -104.05 139.94 38.45 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.309 0.644 . . . . 63.020000000000003 111.544 -170.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.9 m -125.48 144.35 50.58 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.45 1.1 . . . . 54.240000000000002 110.425 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -97.91 105.07 17.16 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.98 -0.748 . . . . 72.430000000000007 108.98 176.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.4 t -113.29 109.88 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.281 0.633 . . . . 75.310000000000002 110.498 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 53.01 31.67 11.48 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 114.2 1.185 . . . . 64.010000000000005 114.2 169.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.54 -2.42 64.9 Favored Glycine 0 CA--C 1.54 1.61 0 N-CA-C 115.339 0.896 . . . . 65.209999999999994 115.339 177.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -114.33 154.15 28.53 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 118.435 1.118 . . . . 61.310000000000002 112.071 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.489 HD12 ' NE2' ' A' ' 27' ' ' GLN . 58.1 mt -77.18 110.09 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-N 115.672 -0.695 . . . . 75.540000000000006 110.679 177.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -104.56 142.36 34.78 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 108.554 -0.906 . . . . 73.540000000000006 108.554 167.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.444 HG13 HD21 ' A' ' 19' ' ' LEU . 5.7 p -139.16 149.83 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 122.776 0.43 . . . . 42.43 110.056 173.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.89 153.62 42.51 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.281 0.632 . . . . 64.219999999999999 110.733 -175.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' A' ' 20' ' ' ASN . 51.2 mt -71.52 144.84 49.48 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.724 0.297 . . . . 72.25 110.906 175.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 t . . . . . 0 CA--C 1.569 1.682 0 CA-C-O 121.412 0.625 . . . . 72.150000000000006 110.022 173.157 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 86.5 mtp . . . . . 0 CA--C 1.547 0.855 0 N-CA-C 109.96 -0.385 . . . . 51.200000000000003 109.96 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.27 -13.83 42.7 Favored 'General case' 0 CA--C 1.563 1.479 0 C-N-CA 123.528 0.731 . . . . 73.120000000000005 112.491 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -66.37 -40.18 89.59 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.191 0.996 . . . . 64.519999999999996 110.817 172.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -69.53 -41.05 76.51 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.035 0.445 . . . . 63.310000000000002 109.93 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -60.79 -34.25 74.21 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.681 0.792 . . . . 72.519999999999996 111.205 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.84 -44.45 86.53 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.67 0.788 . . . . 72.129999999999995 111.597 171.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.25 -32.49 76.17 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 115.918 -0.583 . . . . 42.329999999999998 114.144 176.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.79 -40.52 88.15 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.352 0.661 . . . . 40.409999999999997 111.76 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.555 ' HA ' HE21 ' B' ' 14' ' ' GLN . 79.6 mt -65.87 -40.65 91.84 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.448 0.699 . . . . 71.519999999999996 110.822 172.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.588 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -59.54 -38.47 81.12 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.737 0.815 . . . . 74.439999999999998 113.162 -177.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' B' ' 17' ' ' GLU . . . -59.35 -53.62 44.71 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 123.664 0.603 . . . . 62.130000000000003 113.289 178.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.555 HE21 ' HA ' ' B' ' 11' ' ' LEU . 29.2 pt20 -70.84 -30.97 67.53 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.194 0.598 . . . . 75.439999999999998 112.411 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.566 HD12 ' HA3' ' B' ' 45' ' ' GLY . 64.1 mt -67.35 -46.03 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 122.943 0.497 . . . . 73.530000000000001 110.826 176.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -56.86 -41.26 77.62 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 123.799 0.84 . . . . 62.43 111.418 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' B' ' 13' ' ' GLY . 52.5 mt-10 -62.67 -35.04 78.39 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.767 0.827 . . . . 65.140000000000001 112.438 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 -33.12 75.24 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.309 0.643 . . . . 71.219999999999999 111.579 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 mp -83.24 -22.85 32.98 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.508 0.723 . . . . 62.439999999999998 111.502 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -74.26 126.7 31.2 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.931 0.492 . . . . 64.340000000000003 109.826 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.49 -13.9 66.49 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 114.048 0.379 . . . . 75.430000000000007 114.048 -175.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 46.2 p -110.36 172.72 6.7 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.529 0.732 . . . . 72.439999999999998 110.204 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -79.75 0.15 31.88 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 122.877 0.471 . . . . 64.239999999999995 111.915 172.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.21 154.41 14.45 Favored Glycine 0 C--N 1.346 1.109 0 N-CA-C 111.971 -0.452 . . . . 73.230000000000004 111.971 -171.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 95.9 mt -131.78 154.6 48.92 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.721 0.808 . . . . 75.340000000000003 110.453 -175.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' B' ' 65' ' ' PHE . 43.5 p -77.49 163.6 26.19 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 109.362 -0.607 . . . . 62.350000000000001 109.362 172.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . 0.759 ' HG3' ' HD2' ' B' ' 28' ' ' LYS . 4.4 pt20 -52.57 -40.04 62.18 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 112.797 0.666 . . . . 73.150000000000006 112.797 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.759 ' HD2' ' HG3' ' B' ' 27' ' ' GLN . 0.3 OUTLIER -63.54 -42.17 98.43 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 123.455 0.702 . . . . 74.319999999999993 111.605 177.101 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . 0.529 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 17.1 mm-40 -67.97 -42.56 80.68 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.391 0.676 . . . . 71.349999999999994 111.477 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.462 HG21 HG23 ' B' ' 15' ' ' ILE . 78.5 mt -63.58 -45.57 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.707 0.803 . . . . 73.409999999999997 110.926 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -51.0 -44.48 60.96 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.846 0.858 . . . . 74.340000000000003 112.335 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -67.4 -40.18 85.59 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.363 0.665 . . . . 71.439999999999998 111.655 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.33 69.53 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.323 0.649 . . . . 71.400000000000006 112.3 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.482 HG21 ' HA ' ' B' ' 15' ' ' ILE . 73.5 p -95.78 -7.31 37.48 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 123.964 0.906 . . . . 73.450000000000003 112.465 -176.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt 72.94 18.05 4.09 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 125.386 1.474 . . . . 73.200000000000003 111.681 177.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 mp -70.4 109.64 4.87 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.253 1.021 . . . . 74.319999999999993 110.224 172.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -29.99 66.84 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.926 0.49 . . . . 73.140000000000001 111.028 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.9 144.88 49.5 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.113 0.965 . . . . 74.230000000000004 111.619 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.02 -23.77 67.46 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.151 0.981 . . . . 75.010000000000005 110.968 171.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -53.19 -41.23 65.06 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.518 1.127 . . . . 75.129999999999995 112.251 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.56 -48.74 66.06 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.202 0.601 . . . . 73.310000000000002 109.588 173.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -55.21 -35.95 65.43 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.184 0.993 . . . . 74.140000000000001 113.412 -177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -66.12 -33.12 75.05 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 118.327 0.512 . . . . 73.219999999999999 111.95 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -72.79 -43.61 62.57 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.139 0.575 . . . . 63.229999999999997 110.471 173.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . 0.566 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -65.02 -60.68 6.55 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-N 116.259 -0.428 . . . . 42.520000000000003 113.324 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 62.2 tp -53.56 -35.07 60.37 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.103 0.961 . . . . 75.329999999999998 112.379 170.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.46 -33.41 84.61 Favored Glycine 0 CA--C 1.533 1.162 0 N-CA-C 112.34 -0.304 . . . . 75.030000000000001 112.34 176.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' TRP . . . . . 0.588 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 35.9 t-105 -77.49 -33.8 54.4 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.475 0.71 . . . . 72.549999999999997 111.675 173.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.685 ' HB3' HG22 ' B' ' 55' ' ' VAL . 8.7 mp -60.0 -34.55 73.49 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.244 0.618 . . . . 73.540000000000006 111.548 171.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 93.9 mt -77.51 -34.59 54.05 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.296 0.638 . . . . 64.409999999999997 111.03 171.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.674 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -55.28 -47.94 74.76 Favored 'General case' 0 N--CA 1.499 2.016 0 C-N-CA 124.385 1.074 . . . . 72.450000000000003 111.931 -178.2 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.424 ' HB2' ' HG3' ' B' ' 54' ' ' LYS . 43.8 mt-10 -95.59 -0.32 52.03 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 111.948 0.351 . . . . 71.310000000000002 111.948 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 58.38 42.05 22.02 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.88 0.872 . . . . 64.230000000000004 111.362 -173.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.424 ' HG3' ' HB2' ' B' ' 52' ' ' GLU . 22.0 mtpp -71.33 -34.91 70.96 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.668 1.187 . . . . 70.349999999999994 110.741 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.685 HG22 ' HB3' ' B' ' 49' ' ' LEU . 15.7 m -133.64 178.53 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 CA-C-O 121.581 0.705 . . . . 75.209999999999994 112.036 -173.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -130.58 136.75 57.71 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 C-N-CA 124.818 1.247 . . . . 71.420000000000002 109.967 172.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 66.6 p -105.6 155.57 19.09 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.422 0.689 . . . . 64.340000000000003 110.459 -178.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 68.3 m -140.79 143.6 34.96 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.838 0.855 . . . . 74.230000000000004 110.318 -177.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -97.67 103.76 15.72 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.56 -0.904 . . . . 73.150000000000006 108.56 174.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 86.0 t -107.94 102.04 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 108.662 -0.866 . . . . 41.420000000000002 108.662 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 44.45 43.69 6.43 Favored 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 125.311 1.444 . . . . 72.219999999999999 113.448 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.2 -25.29 28.28 Favored Glycine 0 CA--C 1.542 1.764 0 N-CA-C 115.239 0.855 . . . . 74.030000000000001 115.239 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -78.56 136.23 37.49 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 117.708 0.754 . . . . 74.340000000000003 112.067 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 69.2 mt -83.24 95.02 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.289 0 N-CA-C 109.801 -0.444 . . . . 71.150000000000006 109.801 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 65.6 t80 -92.75 115.11 27.81 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.256 1.022 . . . . 73.120000000000005 110.725 178.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 25.7 t -111.04 142.61 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 123.46 0.704 . . . . 71.019999999999996 110.964 -174.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -152.78 152.13 31.26 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 122.73 0.412 . . . . 60.210000000000001 110.745 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.402 HD23 HG12 ' B' ' 55' ' ' VAL . 44.8 mt -62.21 151.41 36.21 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 112.357 0.503 . . . . 44.020000000000003 112.357 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 108.47 -0.937 . . . . 51.310000000000002 108.47 167.143 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.0 mt . . . . . 0 CA--C 1.558 1.276 0 N-CA-C 111.742 0.275 . . . . 65.549999999999997 111.742 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.549 ' HG2' ' HZ3' ' A' ' 48' ' ' TRP . 27.5 ttmt -70.52 -30.6 67.4 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 122.877 0.471 . . . . 74.099999999999994 110.812 172.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -67.45 -44.3 79.01 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.231 0.613 . . . . 74.109999999999999 112.435 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.27 -28.21 67.0 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 111.534 0.198 . . . . 74.299999999999997 111.534 176.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.29 98.63 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.923 0.489 . . . . 64.120000000000005 111.102 174.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.81 -38.78 49.14 Favored Glycine 0 CA--C 1.536 1.385 0 CA-C-N 115.638 -0.71 . . . . 34.43 114.006 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.35 92.09 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.564 0.746 . . . . 74.310000000000002 111.893 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.504 HD13 ' HB3' ' A' ' 41' ' ' ASP . 90.1 mt -69.89 -38.2 76.28 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.668 -0.696 . . . . 75.030000000000001 111.064 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.99 -34.4 69.94 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.996 0.518 . . . . 75.0 112.251 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.75 -55.28 31.31 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-N 115.59 -0.732 . . . . 70.299999999999997 113.467 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.58 -31.09 66.56 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.068 0.547 . . . . 52.549999999999997 112.407 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.2 mt -64.0 -49.11 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 C-N-CA 123.17 0.588 . . . . 73.239999999999995 110.268 174.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -64.11 -40.75 96.88 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-N 115.939 -0.573 . . . . 75.109999999999999 111.614 178.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.17 -31.37 72.52 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.289 0.636 . . . . 75.329999999999998 111.653 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.31 -33.69 73.55 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.37 0.668 . . . . 54.130000000000003 111.14 172.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.4 mt -80.3 -23.09 40.94 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.945 0.898 . . . . 64.340000000000003 112.315 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.467 ' HA ' HD11 ' A' ' 68' ' ' LEU . 23.1 t-20 -68.58 120.42 14.57 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.02 0.528 . . . . 62.329999999999998 111.394 -177.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.88 -28.99 13.05 Favored Glycine 0 CA--C 1.538 1.506 0 CA-C-N 115.754 -0.657 . . . . 53.32 112.809 -170.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.587 HG22 ' H ' ' A' ' 24' ' ' GLY . 11.7 m -88.67 154.15 20.53 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.02 0.928 . . . . 64.120000000000005 110.727 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -84.83 -8.25 58.87 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.486 0.714 . . . . 70.310000000000002 112.593 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.587 ' H ' HG22 ' A' ' 22' ' ' THR . . . 146.83 143.34 3.86 Favored Glycine 0 C--N 1.346 1.105 0 N-CA-C 113.492 0.157 . . . . 73.439999999999998 113.492 -177.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.482 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 93.9 mt -136.0 158.63 43.94 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.343 1.057 . . . . 73.319999999999993 110.256 177.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.5 p -86.77 172.36 10.21 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.32 0.248 . . . . 73.439999999999998 110.473 171.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -51.46 -45.38 62.7 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.764 0.826 . . . . 61.109999999999999 111.882 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -63.42 -39.34 94.22 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.91 0.884 . . . . 64.310000000000002 112.954 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.482 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 7.2 mm-40 -70.56 -37.28 73.97 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.199 0.523 . . . . 71.019999999999996 111.38 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.3 mt -68.21 -39.69 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 115.487 -0.779 . . . . 62.439999999999998 111.202 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.404 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 10.1 mmmm -53.56 -39.56 64.86 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 123.521 0.728 . . . . 75.439999999999998 112.1 175.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -70.5 -44.15 68.21 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 122.965 0.506 . . . . 52.329999999999998 111.583 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.8 -23.01 61.49 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.751 1.019 . . . . 61.25 113.751 -174.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.435 ' OG1' ' HG ' ' A' ' 36' ' ' LEU . 75.9 p -121.76 -9.38 8.86 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 113.092 0.775 . . . . 73.030000000000001 113.092 -177.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? 52.86 40.52 30.92 Favored 'General case' 0 N--CA 1.504 2.262 0 C-N-CA 125.777 1.631 . . . . 73.530000000000001 113.271 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.435 ' HG ' ' OG1' ' A' ' 34' ' ' THR . 83.4 mt -56.14 126.58 26.67 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 115.583 -0.735 . . . . 71.329999999999998 110.786 177.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.643 ' HD3' ' H ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -63.57 -32.6 74.11 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.011 0.925 . . . . 65.349999999999994 111.209 -169.419 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.41 162.67 34.77 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.43 1.092 . . . . 72.519999999999996 109.872 169.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.02 -24.36 66.0 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.911 0.485 . . . . 61.210000000000001 110.333 169.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -51.94 -38.07 55.12 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.183 0.993 . . . . 74.310000000000002 111.308 171.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.504 ' HB3' HD13 ' A' ' 11' ' ' LEU . 44.3 m-20 -67.37 -38.04 84.13 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.711 0.804 . . . . 64.299999999999997 111.414 175.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -62.04 -43.75 98.17 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.484 0.714 . . . . 73.239999999999995 112.034 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -65.3 -36.13 83.14 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 122.979 0.512 . . . . 74.329999999999998 112.21 -174.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -71.99 -37.97 69.77 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 122.984 0.514 . . . . 64.299999999999997 111.076 175.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.59 -45.99 86.74 Favored Glycine 0 CA--C 1.539 1.581 0 CA-C-N 116.549 -0.296 . . . . 53.109999999999999 112.884 175.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.7 tp -64.59 -31.02 72.05 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.674 1.19 . . . . 72.25 111.504 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.2 -33.06 85.89 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-N 116.116 -0.493 . . . . 62.340000000000003 112.307 176.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.549 ' HZ3' ' HG2' ' A' ' 5' ' ' LYS . 8.7 t-105 -77.9 -32.27 51.68 Favored 'General case' 0 CA--C 1.56 1.339 0 C-N-CA 123.931 0.893 . . . . 73.349999999999994 111.558 175.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.478 ' HB3' HG22 ' A' ' 55' ' ' VAL . 7.7 mp -58.09 -46.01 86.22 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.156 0.582 . . . . 70.129999999999995 110.933 170.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.4 mt -70.37 -33.59 71.61 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.038 0.935 . . . . 62.509999999999998 111.513 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.523 ' HD2' ' HA ' ' B' ' 51' ' ' ARG . 28.4 ttt180 -54.97 -49.86 70.37 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.967 0.907 . . . . 71.540000000000006 112.579 177.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.507 ' HB2' ' HG3' ' A' ' 54' ' ' LYS . 33.3 mt-10 -94.74 -6.99 41.84 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.58 -0.736 . . . . 62.039999999999999 111.099 -177.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 58.95 36.03 24.34 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.769 1.228 . . . . 54.219999999999999 111.411 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.507 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 48.5 mtmt -72.69 -18.13 61.57 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.057 -0.974 . . . . 72.230000000000004 111.134 177.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.478 HG22 ' HB3' ' A' ' 49' ' ' LEU . 20.6 m -129.53 168.55 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.606 0.762 . . . . 72.099999999999994 110.584 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.593 HG13 HG22 ' A' ' 69' ' ' VAL . 6.0 m -130.43 139.28 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.77 1.228 . . . . 74.430000000000007 108.818 168.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.655 HG22 HG12 ' A' ' 66' ' ' VAL . 41.5 p -109.58 132.86 53.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.227 0.611 . . . . 60.229999999999997 111.445 -169.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.467 ' HB2' ' HD2' ' A' ' 65' ' ' PHE . 44.3 m -115.71 137.97 51.57 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.114 0.966 . . . . 71.319999999999993 109.505 176.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -96.08 101.33 12.98 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.985 -0.746 . . . . 73.129999999999995 108.985 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.408 HG12 ' HG3' ' A' ' 61' ' ' GLU . 81.7 t -121.66 114.03 41.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.099 0.959 . . . . 71.239999999999995 110.251 -169.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.408 ' HG3' HG12 ' A' ' 60' ' ' VAL . 27.0 mt-10 60.56 30.77 19.99 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.978 1.311 . . . . 71.040000000000006 112.693 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.66 0.0 46.12 Favored Glycine 0 CA--C 1.543 1.805 0 N-CA-C 114.744 0.658 . . . . 53.229999999999997 114.744 -173.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -98.75 155.04 17.55 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.912 0.885 . . . . 60.119999999999997 111.146 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.8 mt -74.45 104.69 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 CA-C-N 115.238 -0.892 . . . . 73.239999999999995 110.52 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.467 ' HD2' ' HB2' ' A' ' 58' ' ' SER . 87.9 t80 -109.2 131.36 55.14 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.72 -0.845 . . . . 72.25 108.72 168.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.655 HG12 HG22 ' A' ' 57' ' ' THR . 19.6 m -125.77 159.11 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.515 0.726 . . . . 51.210000000000001 110.182 -179.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.577 ' HG3' HG23 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -152.79 167.97 27.26 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.776 0.83 . . . . 64.230000000000004 109.484 174.737 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.467 HD11 ' HA ' ' A' ' 20' ' ' ASN . 32.4 mt -84.62 164.08 18.89 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 118.785 0.721 . . . . 61.32 112.284 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.593 HG22 HG13 ' A' ' 56' ' ' VAL . 55.2 t . . . . . 0 CA--C 1.55 0.955 0 CA-C-N 114.954 -1.021 . . . . 73.030000000000001 109.874 174.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 20.0 ptm . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.788 0.327 . . . . 73.540000000000006 110.521 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.5 mp -53.54 -30.23 40.69 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.589 0.756 . . . . 72.109999999999999 112.382 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -64.93 -38.61 91.55 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 123.049 0.54 . . . . 73.109999999999999 112.052 -177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -65.94 -51.12 61.31 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.047 0.539 . . . . 73.430000000000007 111.263 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -23.27 60.38 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 112.236 0.458 . . . . 70.420000000000002 112.236 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.84 94.74 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 122.942 0.497 . . . . 74.519999999999996 111.104 170.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.98 -32.3 76.84 Favored Glycine 0 CA--C 1.537 1.45 0 CA-C-N 115.72 -0.673 . . . . 75.510000000000005 113.569 174.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.19 -43.2 78.64 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.223 0.609 . . . . 71.209999999999994 111.271 175.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.98 -36.1 82.38 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.334 0.654 . . . . 71.519999999999996 110.781 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.3 -46.18 91.38 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.678 0.791 . . . . 43.43 112.929 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.8 -53.04 38.54 Favored Glycine 0 C--N 1.347 1.14 0 O-C-N 124.128 0.892 . . . . 73.230000000000004 113.913 -175.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -65.0 -37.79 88.81 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 123.486 0.714 . . . . 64.430000000000007 112.544 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.698 HG23 HG21 ' B' ' 30' ' ' ILE . 77.3 mt -66.47 -43.47 90.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 C-N-CA 123.701 0.8 . . . . 71.219999999999999 111.838 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -61.97 -43.08 99.6 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.623 0.769 . . . . 75.129999999999995 111.523 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -64.46 -30.38 71.42 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.423 0.689 . . . . 73.109999999999999 112.434 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -33.26 74.59 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.197 0.522 . . . . 73.120000000000005 111.308 172.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.584 HD21 HD11 ' B' ' 30' ' ' ILE . 88.2 mt -87.43 -20.45 26.61 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.992 0.917 . . . . 63.420000000000002 112.563 177.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -70.46 124.65 24.72 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.89 0.476 . . . . 74.349999999999994 111.098 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.77 4.79 88.36 Favored Glycine 0 CA--C 1.54 1.594 0 CA-C-N 116.095 -0.502 . . . . 62.450000000000003 113.296 -173.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.547 HG22 ' H ' ' B' ' 24' ' ' GLY . 29.6 m -122.89 147.63 46.36 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.59 1.156 . . . . 64.25 109.745 -176.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.17 -22.28 62.06 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.789 0.436 . . . . 73.219999999999999 111.96 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.547 ' H ' HG22 ' B' ' 22' ' ' THR . . . 148.52 147.53 4.55 Favored Glycine 0 C--N 1.348 1.236 0 CA-C-N 116.225 -0.443 . . . . 73.319999999999993 112.061 -174.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.47 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 87.3 mt -138.95 159.01 43.16 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.789 0.835 . . . . 73.099999999999994 111.02 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 29.9 p -82.37 168.91 17.04 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 116.066 -0.516 . . . . 74.019999999999996 110.536 172.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -60.7 -31.64 70.9 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.39 0.276 . . . . 72.109999999999999 111.666 175.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -63.82 -48.9 74.97 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.645 0.778 . . . . 73.319999999999993 111.585 176.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . 0.47 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 80.4 mm-40 -63.63 -47.29 81.95 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 115.568 -0.742 . . . . 62.439999999999998 111.506 -178.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.698 HG21 HG23 ' B' ' 15' ' ' ILE . 83.9 mt -68.08 -49.46 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 115.317 -0.856 . . . . 62.109999999999999 111.808 -177.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -59.46 -36.71 76.48 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 122.932 0.493 . . . . 44.450000000000003 110.958 -175.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -68.64 -47.89 65.44 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.779 0.832 . . . . 73.450000000000003 110.688 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.29 -31.59 71.42 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.42 0.688 . . . . 62.149999999999999 112.384 -178.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 80.8 p -93.18 -10.91 34.12 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.442 1.097 . . . . 54.350000000000001 112.107 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt 71.98 19.75 4.59 Favored 'General case' 0 CA--C 1.569 1.675 0 C-N-CA 124.956 1.303 . . . . 71.549999999999997 111.5 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.412 HD22 ' HB3' ' B' ' 41' ' ' ASP . 96.7 mt -75.94 154.71 35.73 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.474 0.71 . . . . 62.240000000000002 109.963 173.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -117.94 -40.05 3.03 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 112.514 0.561 . . . . 65.109999999999999 112.514 -170.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.21 150.11 20.61 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.635 0.774 . . . . 64.140000000000001 111.105 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -58.78 -34.92 71.99 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.515 1.126 . . . . 73.040000000000006 111.088 171.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -60.55 -37.06 80.03 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.036 1.334 . . . . 73.430000000000007 111.805 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.412 ' HB3' HD22 ' B' ' 36' ' ' LEU . 65.5 m-20 -61.29 -38.44 86.8 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.335 0.654 . . . . 72.129999999999995 110.941 178.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -70.94 -38.29 72.87 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.348 -0.842 . . . . 73.209999999999994 111.4 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -72.35 -44.14 63.05 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.333 0.494 . . . . 70.310000000000002 112.333 -175.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 mp -66.75 -31.55 72.28 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.147 0.579 . . . . 74.140000000000001 111.1 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . 0.572 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -74.38 -50.48 9.89 Favored Glycine 0 CA--C 1.538 1.503 0 CA-C-N 116.144 -0.48 . . . . 54.409999999999997 113.256 173.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 55.5 tp -64.37 -31.41 72.6 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.977 0.911 . . . . 64.430000000000007 111.722 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.98 -31.21 71.77 Favored Glycine 0 CA--C 1.535 1.293 0 CA-C-N 115.869 -0.605 . . . . 42.420000000000002 112.802 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' TRP . . . . . 0.495 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 7.1 t-105 -77.0 -34.12 57.53 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-O 121.583 0.706 . . . . 71.299999999999997 111.185 174.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.489 HD23 HG11 ' B' ' 55' ' ' VAL . 6.6 mp -66.0 -30.67 71.26 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.873 -0.517 . . . . 74.319999999999993 110.746 174.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.56 -36.13 57.8 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.124 0.97 . . . . 73.219999999999999 111.253 172.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.523 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -64.51 -35.71 81.84 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 122.526 0.33 . . . . 64.310000000000002 111.864 -178.755 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -95.89 0.65 52.28 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.193 0.597 . . . . 72.019999999999996 112.401 175.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 63.39 15.06 8.42 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 124.381 1.072 . . . . 25.140000000000001 112.166 176.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -84.22 6.02 24.31 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.906 0.882 . . . . 60.399999999999999 112.403 -172.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.489 HG11 HD23 ' B' ' 49' ' ' LEU . 29.5 m -137.38 171.69 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.658 0.783 . . . . 51.549999999999997 110.511 165.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.512 HG13 ' NZ ' ' B' ' 67' ' ' LYS . 7.4 p -143.42 144.62 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 114.742 -1.117 . . . . 74.230000000000004 108.642 169.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . 0.511 HG22 HG12 ' B' ' 66' ' ' VAL . 74.5 p -100.3 156.21 17.36 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.082 0.553 . . . . 71.519999999999996 111.386 -168.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 47.0 t -146.82 160.46 42.25 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.908 0.883 . . . . 73.120000000000005 110.011 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -107.51 117.82 35.09 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.769 0.828 . . . . 72.140000000000001 108.833 174.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 40.5 t -114.91 107.87 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 122.889 0.476 . . . . 75.299999999999997 110.368 170.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 54.5 33.27 18.5 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 124.501 1.121 . . . . 73.129999999999995 112.885 174.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.88 13.43 60.83 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 115.934 -0.576 . . . . 64.349999999999994 114.023 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -115.36 146.57 41.44 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.502 0.721 . . . . 71.420000000000002 111.741 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 62.9 mt -74.93 108.28 6.41 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 C-N-CA 123.065 0.546 . . . . 71.129999999999995 110.387 174.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -115.5 104.16 11.47 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.63 1.172 . . . . 72.140000000000001 109.412 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.511 HG12 HG22 ' B' ' 57' ' ' THR . 34.7 m -109.71 156.51 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 123.078 0.551 . . . . 70.319999999999993 111.704 -176.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.512 ' NZ ' HG13 ' B' ' 56' ' ' VAL . 0.0 OUTLIER -158.66 154.93 27.24 Favored 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 122.924 0.49 . . . . 60.420000000000002 111.812 -174.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.474 HD23 HG12 ' B' ' 55' ' ' VAL . 39.8 mt -70.68 81.0 0.6 Allowed 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 112.72 0.637 . . . . 61.240000000000002 112.72 -174.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 23.8 t . . . . . 0 CA--C 1.58 2.112 0 C-N-CA 124.303 1.041 . . . . 65.549999999999997 112.38 176.32 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tm? . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 110.291 -0.262 . . . . 74.129999999999995 110.291 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -59.25 -37.43 77.57 Favored 'General case' 0 CA--C 1.559 1.293 0 N-CA-C 113.031 0.752 . . . . 75.239999999999995 113.031 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -77.49 -43.76 31.1 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.571 0.749 . . . . 74.540000000000006 111.804 -175.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -70.02 -41.31 74.45 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 111.664 0.246 . . . . 53.409999999999997 111.664 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.69 -32.0 73.47 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.258 0.623 . . . . 53.509999999999998 110.712 174.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.14 -32.0 66.02 Favored Glycine 0 CA--C 1.541 1.676 0 CA-C-N 115.679 -0.691 . . . . 72.299999999999997 113.791 174.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.48 -45.46 65.64 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.413 0.685 . . . . 74.430000000000007 111.067 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.34 -37.96 85.17 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.768 0.827 . . . . 45.200000000000003 110.638 172.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.72 92.53 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.572 0.749 . . . . 75.349999999999994 112.93 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.69 -47.41 71.02 Favored Glycine 0 CA--C 1.536 1.401 0 O-C-N 123.832 0.708 . . . . 51.119999999999997 114.282 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.454 ' NE2' HD21 ' A' ' 36' ' ' LEU . 11.1 pt20 -74.51 -38.47 62.81 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.423 0.689 . . . . 73.430000000000007 112.789 -178.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.468 HD12 ' HA3' ' A' ' 45' ' ' GLY . 89.1 mt -69.37 -43.1 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 C-N-CA 122.63 0.372 . . . . 52.329999999999998 110.992 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -55.81 -45.25 78.33 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.722 0.809 . . . . 64.409999999999997 110.408 171.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -32.54 74.29 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 123.949 0.9 . . . . 73.129999999999995 111.271 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.77 -35.17 78.2 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.435 0.694 . . . . 64.420000000000002 111.04 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.4 mt -82.75 -16.03 49.55 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 123.703 0.801 . . . . 72.140000000000001 112.03 175.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -70.96 130.59 41.99 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 109.521 -0.548 . . . . 61.399999999999999 109.521 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.84 -38.62 3.16 Favored Glycine 0 CA--C 1.539 1.546 0 CA-C-N 116.246 -0.434 . . . . 73.230000000000004 112.825 -172.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.458 HG22 ' H ' ' A' ' 24' ' ' GLY . 2.6 m -88.64 149.01 23.75 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.763 0.825 . . . . 74.340000000000003 110.641 -177.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.31 1.06 55.95 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.045 0.538 . . . . 43.520000000000003 111.153 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.569 ' HA2' ' HB3' ' A' ' 67' ' ' LYS . . . 156.07 139.33 2.73 Favored Glycine 0 C--N 1.35 1.33 0 CA-C-O 120.076 -0.291 . . . . 72.109999999999999 112.683 -179.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.9 tp -151.63 150.49 30.33 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-N 117.183 0.492 . . . . 72.25 110.392 -177.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 79.5 p -88.53 156.61 18.98 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 122.894 0.478 . . . . 70.310000000000002 111.459 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -50.95 -40.75 58.27 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 124.885 1.274 . . . . 72.140000000000001 113.926 -174.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -69.73 -36.85 76.2 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.863 0.865 . . . . 62.350000000000001 112.517 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -77.81 -30.59 51.26 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.984 0.514 . . . . 73.129999999999995 111.091 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.5 mt -68.56 -45.46 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 123.364 0.666 . . . . 72.430000000000007 111.197 175.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -65.46 -25.5 67.52 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 122.527 0.331 . . . . 71.230000000000004 111.74 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -67.01 -50.25 62.72 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.078 0.551 . . . . 72.340000000000003 110.773 169.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.77 -34.14 77.49 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.765 0.826 . . . . 72.510000000000005 112.483 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.8 p -96.84 -7.19 34.18 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.37 1.068 . . . . 73.310000000000002 112.58 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? 65.88 30.31 9.96 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 124.752 1.221 . . . . 74.340000000000003 112.597 176.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.454 HD21 ' NE2' ' A' ' 14' ' ' GLN . 91.5 mt -75.91 129.6 37.2 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.237 0.615 . . . . 62.109999999999999 110.359 176.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -67.97 -49.52 61.18 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.342 0.657 . . . . 62.409999999999997 109.683 174.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.9 149.43 37.21 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.466 0.706 . . . . 63.229999999999997 112.023 -175.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.85 -22.08 66.51 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.378 1.071 . . . . 74.420000000000002 111.531 170.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -55.87 -37.55 68.96 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.733 0.813 . . . . 73.409999999999997 112.195 173.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.46 -34.15 75.44 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.163 0.585 . . . . 61.039999999999999 110.799 174.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -68.58 -33.25 73.74 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.812 -0.631 . . . . 62.329999999999998 111.28 174.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -72.28 -38.85 68.69 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 118.11 0.414 . . . . 73.040000000000006 111.973 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.36 -40.58 73.96 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 122.966 0.507 . . . . 64.040000000000006 111.105 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.468 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -66.36 -55.53 17.9 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-N 116.151 -0.477 . . . . 72.129999999999995 113.171 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.2 -33.98 74.34 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 124.14 0.976 . . . . 72.109999999999999 111.884 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.36 -33.69 87.93 Favored Glycine 0 N--CA 1.474 1.217 0 N-CA-C 112.147 -0.381 . . . . 73.120000000000005 112.147 175.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.509 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 51.2 t-105 -72.19 -39.4 68.65 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 122.943 0.497 . . . . 65.25 110.536 172.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.649 HD23 HG11 ' A' ' 55' ' ' VAL . 6.9 mp -57.05 -37.12 71.36 Favored 'General case' 0 N--CA 1.5 2.025 0 C-N-CA 123.409 0.683 . . . . 73.219999999999999 112.284 174.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.91 -42.96 80.32 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.704 0.802 . . . . 73.519999999999996 111.722 177.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.908 ' HB2' ' HB3' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -73.46 -22.69 60.11 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 120.561 0.22 . . . . 71.430000000000007 111.563 178.511 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.431 ' HB3' ' HE2' ' A' ' 54' ' ' LYS . 9.7 mm-40 -77.42 -22.16 51.98 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.056 0.943 . . . . 73.099999999999994 111.744 173.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.4 t0 64.61 22.27 12.6 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 124.288 1.035 . . . . 52.149999999999999 111.148 -177.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' ' 52' ' ' GLU . 53.8 mtmt -95.26 0.62 54.04 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.141 0.576 . . . . 73.409999999999997 112.431 -177.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.649 HG11 HD23 ' A' ' 49' ' ' LEU . 33.2 m -136.89 170.8 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 CA-C-O 121.987 0.898 . . . . 50.420000000000002 113.357 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.483 HG13 ' HE3' ' A' ' 67' ' ' LYS . 4.7 p -134.07 137.32 52.26 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 CA-C-N 113.812 -1.54 . . . . 71.540000000000006 109.681 165.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 82.6 p -103.56 156.84 17.47 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.593 0.757 . . . . 54.240000000000002 110.912 -175.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.2 t -153.95 171.01 19.68 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.876 0.87 . . . . 51.32 110.191 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -120.52 125.34 47.6 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.975 0.51 . . . . 71.25 111.101 176.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -110.25 107.39 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 109.087 -0.708 . . . . 75.099999999999994 109.087 167.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 52.45 48.44 22.6 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 125.372 1.469 . . . . 64.239999999999995 113.721 173.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.37 -3.63 86.88 Favored Glycine 0 C--N 1.352 1.429 0 N-CA-C 114.914 0.726 . . . . 64.030000000000001 114.914 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -117.16 152.02 35.64 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 117.626 0.713 . . . . 64.010000000000005 111.246 -175.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.1 mt -77.89 118.18 24.4 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.152 0 C-N-CA 123.054 0.542 . . . . 44.439999999999998 111.673 -173.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -117.44 110.89 18.56 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.09 1.356 . . . . 73.549999999999997 108.941 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.0 m -120.26 159.6 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.765 -0.584 . . . . 74.340000000000003 112.149 -175.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.569 ' HB3' ' HA2' ' A' ' 24' ' ' GLY . 0.2 OUTLIER -154.42 167.59 29.5 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.45 0.7 . . . . 74.239999999999995 109.805 178.537 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.526 HD23 HG12 ' A' ' 55' ' ' VAL . 58.8 mt -71.01 171.32 11.05 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.619 0.247 . . . . 71.319999999999993 110.934 173.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 N--CA 1.484 1.262 0 N-CA-C 109.202 -0.666 . . . . 65.319999999999993 109.202 172.436 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 72.2 mtm . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 121.455 0.645 . . . . 72.239999999999995 112.337 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.453 ' H ' HD22 ' B' ' 4' ' ' LEU . 2.4 mm? -63.8 -13.93 48.54 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.919 0.888 . . . . 73.219999999999999 112.18 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -62.72 -42.33 99.6 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.201 1.0 . . . . 74.25 110.859 171.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -62.54 -41.59 98.97 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.096 -0.956 . . . . 71.510000000000005 111.06 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -55.06 -55.17 33.97 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.604 -0.725 . . . . 75.030000000000001 111.255 172.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.73 -34.42 65.14 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.807 0.843 . . . . 71.200000000000003 112.239 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.13 -40.29 42.64 Favored Glycine 0 CA--C 1.541 1.68 0 CA-C-N 115.569 -0.741 . . . . 72.239999999999995 113.471 176.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.89 83.82 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.646 0.778 . . . . 32.109999999999999 111.793 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.401 HD13 ' O ' ' B' ' 41' ' ' ASP . 70.8 mt -70.5 -38.48 74.34 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.925 0.89 . . . . 54.530000000000001 110.465 175.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.01 -42.64 80.68 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.512 0.725 . . . . 64.219999999999999 112.685 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.32 -55.76 27.4 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-N 115.707 -0.678 . . . . 71.319999999999993 113.664 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -69.4 -36.92 77.23 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 112.737 0.643 . . . . 73.5 112.737 -175.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.528 ' HA ' HG21 ' B' ' 34' ' ' THR . 71.2 mt -64.02 -46.46 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 123.172 0.589 . . . . 72.010000000000005 111.162 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -60.84 -46.38 90.78 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 122.809 0.444 . . . . 75.030000000000001 111.23 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.65 -27.33 69.15 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.695 0.798 . . . . 71.430000000000007 112.413 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.22 -34.01 77.04 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.047 0.539 . . . . 55.420000000000002 111.828 174.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.579 HD21 HG23 ' B' ' 66' ' ' VAL . 8.6 mp -89.73 -15.6 32.13 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.555 0.742 . . . . 73.430000000000007 111.848 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -64.76 119.37 10.48 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.51 0.324 . . . . 71.239999999999995 110.673 -178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.18 -38.09 3.49 Favored Glycine 0 CA--C 1.537 1.457 0 CA-C-N 116.461 -0.336 . . . . 74.209999999999994 113.622 -173.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.9 p -84.96 171.43 12.14 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 117.293 0.547 . . . . 55.340000000000003 111.827 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -87.74 5.39 40.16 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.526 0.73 . . . . 64.439999999999998 111.356 173.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.504 ' HA3' ' HB3' ' B' ' 67' ' ' LYS . . . 124.03 154.72 8.99 Favored Glycine 0 C--N 1.353 1.515 0 C-N-CA 123.126 0.393 . . . . 64.120000000000005 113.677 -178.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 96.4 mt -133.83 156.19 48.48 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.82 0.848 . . . . 74.340000000000003 110.645 -177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 70.7 p -85.55 159.48 19.88 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.87 0.468 . . . . 64.400000000000006 110.273 172.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -53.69 -36.38 62.12 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.923 0.889 . . . . 74.209999999999994 112.632 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -57.18 -50.76 71.83 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.916 0.886 . . . . 64.430000000000007 112.362 172.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -67.49 -37.58 83.06 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.742 0.817 . . . . 75.019999999999996 111.817 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.2 mt -71.77 -45.33 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.603 0.761 . . . . 62.420000000000002 111.328 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.654 ' HG3' ' HB2' ' B' ' 36' ' ' LEU . 62.2 tttm -59.42 -44.12 92.94 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.57 0.748 . . . . 63.140000000000001 111.691 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -67.25 -44.01 80.48 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 122.86 0.464 . . . . 51.130000000000003 111.557 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.37 -49.7 74.49 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.079 0.552 . . . . 64.150000000000006 112.177 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.528 HG21 ' HA ' ' B' ' 15' ' ' ILE . 66.9 p -85.72 -9.53 57.02 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.683 0.793 . . . . 60.329999999999998 112.3 -178.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? 64.57 58.7 1.01 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.425 1.09 . . . . 74.129999999999995 111.962 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.654 ' HB2' ' HG3' ' B' ' 31' ' ' LYS . 67.1 mt -84.3 144.23 29.01 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 115.36 -0.836 . . . . 72.129999999999995 110.755 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -75.55 -37.87 59.67 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.498 0.719 . . . . 73.209999999999994 109.832 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.49 165.46 27.18 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.855 -1.066 . . . . 62.409999999999997 110.619 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.59 -23.83 65.43 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.73 0.812 . . . . 64.010000000000005 111.58 174.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -54.77 -34.09 62.19 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.046 0.938 . . . . 51.539999999999999 112.226 172.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.402 ' HB3' HD22 ' B' ' 36' ' ' LEU . 38.1 m-20 -64.57 -35.55 81.35 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.107 0.563 . . . . 61.229999999999997 110.983 176.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -68.52 -43.69 76.25 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.434 -0.348 . . . . 71.519999999999996 110.696 177.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -65.64 -43.73 88.55 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.982 0.513 . . . . 75.120000000000005 112.175 -175.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.27 -42.34 84.0 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.25 0.62 . . . . 62.520000000000003 111.437 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . 0.465 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -64.41 -44.1 95.8 Favored Glycine 0 CA--C 1.538 1.489 0 CA-C-N 116.52 -0.309 . . . . 75.150000000000006 113.171 175.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.1 tp -65.07 -32.54 74.31 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 124.154 0.981 . . . . 73.409999999999997 111.625 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.32 -31.91 80.41 Favored Glycine 0 N--CA 1.475 1.272 0 CA-C-N 115.863 -0.608 . . . . 75.109999999999999 112.567 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' TRP . . . . . 0.46 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 7.9 t-105 -76.72 -32.11 57.6 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 123.284 0.633 . . . . 75.430000000000007 110.611 175.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.549 ' HB3' HG22 ' B' ' 55' ' ' VAL . 5.9 mp -66.31 -30.1 70.45 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.086 0.554 . . . . 74.209999999999994 111.329 171.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.18 -38.18 75.32 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.779 0.832 . . . . 75.349999999999994 112.714 175.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.908 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 16.5 ptm180 -69.06 -28.91 66.95 Favored 'General case' 0 N--CA 1.5 2.032 0 CA-C-N 118.386 0.539 . . . . 72.540000000000006 111.764 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -90.8 -18.41 24.95 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.103 0.561 . . . . 72.329999999999998 110.622 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 30.1 t70 66.02 25.01 10.99 Favored 'General case' 0 CA--C 1.568 1.659 0 CA-C-O 122.363 1.077 . . . . 73.439999999999998 110.939 176.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -78.23 -10.84 59.83 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 115.519 -0.764 . . . . 74.299999999999997 112.038 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.549 HG22 ' HB3' ' B' ' 49' ' ' LEU . 33.2 m -133.08 164.36 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 CA-C-O 121.321 0.582 . . . . 52.140000000000001 111.612 178.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 6.6 p -135.35 143.99 35.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 C-N-CA 124.233 1.013 . . . . 53.0 109.401 174.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 65.6 p -100.58 142.83 31.51 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.369 0.667 . . . . 73.109999999999999 110.827 -172.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 59.9 m -142.3 153.86 44.24 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.204 1.002 . . . . 53.310000000000002 109.929 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -103.47 104.95 15.09 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.049 0.539 . . . . 74.040000000000006 110.044 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 55.2 t -105.24 109.34 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 109.464 -0.569 . . . . 65.019999999999996 109.464 170.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 57.48 38.68 28.21 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.152 1.381 . . . . 64.319999999999993 112.432 174.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.04 -28.29 8.95 Favored Glycine 0 CA--C 1.544 1.884 0 N-CA-C 114.849 0.7 . . . . 65.239999999999995 114.849 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -92.7 169.29 10.61 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 113.596 0.962 . . . . 61.299999999999997 113.596 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 63.3 mt -81.2 127.37 39.61 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 CA-C-N 114.86 -1.063 . . . . 71.030000000000001 111.788 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -126.74 111.52 14.34 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.227 1.411 . . . . 74.510000000000005 107.846 173.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.579 HG23 HD21 ' B' ' 19' ' ' LEU . 31.9 m -112.3 153.47 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-O 120.825 0.345 . . . . 71.530000000000001 110.916 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.504 ' HB3' ' HA3' ' B' ' 24' ' ' GLY . 21.4 pttp -150.81 152.16 33.37 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 116.077 -0.51 . . . . 73.030000000000001 111.357 -178.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.427 HD23 HG12 ' B' ' 55' ' ' VAL . 31.1 mt -69.37 129.45 39.81 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 116.099 -0.5 . . . . 52.450000000000003 111.491 -175.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 49.6 t . . . . . 0 CA--C 1.549 0.917 0 N-CA-C 109.257 -0.646 . . . . 63.310000000000002 109.257 171.3 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.428 HD13 HG23 ' B' ' 64' ' ' ILE . 8.8 tt . . . . . 0 N--CA 1.488 1.455 0 N-CA-C 111.659 0.244 . . . . 55.340000000000003 111.659 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -55.96 -44.26 78.29 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.518 1.127 . . . . 34.520000000000003 112.495 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -71.81 -47.64 51.95 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.148 0.579 . . . . 61.439999999999998 111.757 -175.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -20.98 60.52 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 116.33 -0.395 . . . . 53.109999999999999 111.722 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.83 -38.07 89.27 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.123 0.569 . . . . 73.530000000000001 110.772 170.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.5 -35.47 81.53 Favored Glycine 0 CA--C 1.539 1.534 0 CA-C-N 115.791 -0.641 . . . . 73.030000000000001 113.8 173.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.05 80.53 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.253 0.621 . . . . 53.200000000000003 111.778 175.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 41' ' ' ASP . 75.6 mt -74.75 -32.63 62.14 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.86 0.864 . . . . 61.009999999999998 111.152 174.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.516 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -55.17 -41.28 71.66 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.619 0.768 . . . . 25.449999999999999 112.909 -178.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.37 -49.09 65.77 Favored Glycine 0 CA--C 1.534 1.249 0 CA-C-N 115.494 -0.776 . . . . 74.219999999999999 112.763 172.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -58.93 -53.4 58.84 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.907 0.883 . . . . 73.230000000000004 112.531 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.25 -39.29 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 C-N-CA 123.044 0.538 . . . . 75.510000000000005 110.551 -177.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -61.62 -43.09 99.52 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.018 0.527 . . . . 72.310000000000002 111.561 175.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.63 -23.34 67.03 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.959 0.904 . . . . 72.230000000000004 112.386 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.83 -40.71 63.12 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 122.464 0.306 . . . . 71.200000000000003 111.29 171.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.438 HD21 HG13 ' A' ' 66' ' ' VAL . 10.8 mp -82.45 -27.75 31.72 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 113.745 1.017 . . . . 71.219999999999999 113.745 -174.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -67.59 135.27 52.66 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 118.707 0.685 . . . . 70.310000000000002 112.124 -174.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.35 7.11 71.79 Favored Glycine 0 CA--C 1.54 1.625 0 CA-C-N 115.885 -0.598 . . . . 30.129999999999999 113.859 -175.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.5 m -122.02 157.61 30.98 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.289 1.036 . . . . 61.219999999999999 110.215 -175.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -69.74 -4.8 21.38 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 123.748 0.819 . . . . 73.519999999999996 112.366 175.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.43 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 112.1 155.98 13.02 Favored Glycine 0 C--N 1.343 0.926 0 C-N-CA 123.407 0.527 . . . . 73.040000000000006 111.808 -171.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.2 mt -130.9 160.01 35.74 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.138 0.494 . . . . 63.240000000000002 111.264 -176.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.1 p -86.72 165.45 16.07 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.228 -0.897 . . . . 71.329999999999998 110.158 171.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 17.3 pt20 -51.59 -43.74 62.57 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.209 0.604 . . . . 73.310000000000002 112.519 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -59.23 -47.7 84.37 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.105 0.962 . . . . 62.229999999999997 113.006 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -62.72 -42.01 99.45 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.177 0.591 . . . . 70.010000000000005 111.642 -178.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.7 mt -67.23 -38.72 81.54 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-N 115.06 -0.973 . . . . 72.030000000000001 111.379 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 27' ' ' GLN . 30.6 mtpp -56.79 -41.54 77.89 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 122.997 0.519 . . . . 62.310000000000002 111.818 175.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -68.91 -39.76 79.49 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.057 0.543 . . . . 75.019999999999996 111.68 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.84 -44.58 66.17 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 121.421 0.629 . . . . 60.240000000000002 111.803 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.8 p -82.51 -19.37 38.84 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 124.3 1.04 . . . . 61.009999999999998 112.357 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt 65.39 32.61 9.55 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.757 1.223 . . . . 74.439999999999998 111.997 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.8 mt -88.52 115.41 26.02 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.954 0.902 . . . . 63.439999999999998 110.16 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -70.41 -43.13 70.64 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.158 0.983 . . . . 61.43 110.987 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -95.39 141.92 28.38 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.031 0.532 . . . . 65.0 111.62 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -66.24 -24.55 66.61 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.522 0.729 . . . . 64.209999999999994 111.578 173.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.405 ' O ' HD13 ' A' ' 44' ' ' LEU . 47.1 mmtm -58.38 -36.13 73.04 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.876 0.871 . . . . 70.200000000000003 112.42 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.404 ' O ' HD13 ' A' ' 11' ' ' LEU . 11.7 m-20 -70.06 -36.91 75.32 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.051 0.54 . . . . 74.329999999999998 110.389 174.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -64.64 -41.74 95.94 Favored 'General case' 0 CA--C 1.555 1.165 0 CA-C-N 115.693 -0.685 . . . . 71.209999999999994 111.72 176.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -64.31 -37.13 86.41 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.207 0.603 . . . . 74.120000000000005 112.123 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 40' ' ' LYS . 9.4 mp -70.44 -47.26 61.54 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.397 0.679 . . . . 74.420000000000002 111.358 176.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.427 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -61.97 -55.14 29.87 Favored Glycine 0 C--N 1.352 1.423 0 CA-C-N 116.393 -0.367 . . . . 75.219999999999999 113.531 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.654 HD11 HG21 ' A' ' 66' ' ' VAL . 63.7 tp -58.28 -38.48 77.08 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.092 0.957 . . . . 64.439999999999998 111.903 175.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.55 -30.94 79.28 Favored Glycine 0 N--CA 1.472 1.089 0 CA-C-N 115.497 -0.774 . . . . 62.350000000000001 112.79 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.516 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 30.4 t-105 -77.08 -24.5 51.88 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.336 0.654 . . . . 72.25 111.34 175.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.453 HD23 HG11 ' A' ' 55' ' ' VAL . 6.1 mp -72.78 -36.43 67.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.927 -0.483 . . . . 73.329999999999998 110.342 169.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.438 HD23 HG23 ' A' ' 55' ' ' VAL . 98.3 mt -67.41 -38.58 84.85 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 115.576 -0.738 . . . . 54.009999999999998 110.396 175.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.66 ' HB2' ' HB3' ' B' ' 51' ' ' ARG . 2.3 ppt_? -66.04 -30.06 70.53 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.326 0.65 . . . . 75.329999999999998 111.362 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -96.56 3.87 52.37 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 112.843 0.683 . . . . 75.420000000000002 112.843 176.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 64.49 15.64 9.73 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 124.259 1.023 . . . . 71.25 112.331 174.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -80.54 -9.28 59.78 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.462 0.705 . . . . 72.450000000000003 112.826 -172.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.526 HG12 HD23 ' A' ' 68' ' ' LEU . 35.8 m -137.29 162.13 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-O 121.456 0.646 . . . . 62.350000000000001 112.063 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.5 p -129.98 134.01 63.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 124.249 1.019 . . . . 71.239999999999995 110.226 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.4 p -111.27 132.98 53.94 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.785 0.834 . . . . 75.230000000000004 111.472 -172.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.7 t -122.88 158.67 29.84 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.288 1.035 . . . . 75.019999999999996 110.294 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -99.86 103.61 15.22 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.239 0.616 . . . . 75.430000000000007 109.441 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.3 t -108.42 107.35 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-O 121.13 0.49 . . . . 72.219999999999999 110.298 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 49.28 31.14 3.52 Favored 'General case' 0 CA--C 1.561 1.365 0 C-N-CA 126.058 1.743 . . . . 52.229999999999997 114.607 173.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.64 5.03 57.89 Favored Glycine 0 CA--C 1.539 1.541 0 N-CA-C 115.689 1.036 . . . . 62.420000000000002 115.689 176.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -126.3 161.28 28.15 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 118.743 1.272 . . . . 72.430000000000007 111.559 174.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 55.9 mt -77.64 113.21 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-N 115.674 -0.694 . . . . 71.200000000000003 111.344 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -106.58 132.15 52.92 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.562 -0.903 . . . . 74.329999999999998 108.562 167.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.654 HG21 HD11 ' A' ' 46' ' ' LEU . 8.0 p -139.83 150.48 22.05 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 C-N-CA 122.572 0.349 . . . . 72.0 111.627 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.43 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 20.6 ptmt -147.96 157.46 43.53 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.323 0.649 . . . . 71.120000000000005 111.113 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.526 HD23 HG12 ' A' ' 55' ' ' VAL . 60.1 mt -67.05 137.16 56.21 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.588 0.355 . . . . 74.349999999999994 111.648 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.7 t . . . . . 0 CA--C 1.549 0.935 0 N-CA-C 108.753 -0.832 . . . . 63.25 108.753 165.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . 0.454 ' HB2' ' HB2' ' B' ' 6' ' ' GLU . 33.7 mmt . . . . . 0 CA--C 1.548 0.871 0 N-CA-C 110.329 -0.249 . . . . 74.430000000000007 110.329 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 mp -66.09 -20.37 66.14 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 121.319 0.58 . . . . 63.240000000000002 110.594 175.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -75.48 -35.18 60.89 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 123.969 0.908 . . . . 73.540000000000006 111.182 172.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.454 ' HB2' ' HB2' ' B' ' 3' ' ' MET . 11.1 tp10 -75.0 -47.25 30.1 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 122.799 0.44 . . . . 75.030000000000001 111.615 -175.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -34.96 64.4 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.421 0.688 . . . . 74.310000000000002 111.408 175.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.86 -32.5 71.92 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.273 1.029 . . . . 61.200000000000003 111.64 -176.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.99 -40.16 44.18 Favored Glycine 0 CA--C 1.535 1.339 0 CA-C-N 115.041 -0.982 . . . . 62.520000000000003 113.888 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.11 -47.49 74.01 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.007 0.523 . . . . 72.200000000000003 111.474 175.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.89 -30.63 71.68 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.875 0.87 . . . . 73.319999999999993 111.514 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.486 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -58.25 -45.78 87.17 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.093 0.557 . . . . 73.230000000000004 112.027 175.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.19 -42.71 98.74 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.645 -0.707 . . . . 60.32 113.368 176.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -72.89 -37.55 67.24 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.618 0.767 . . . . 64.319999999999993 112.026 -176.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 68.4 mt -69.91 -47.08 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 C-N-CA 123.574 0.75 . . . . 74.420000000000002 111.389 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -66.01 -47.46 74.39 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 123.085 0.554 . . . . 75.209999999999994 111.178 -178.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -62.38 -30.02 70.9 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 112.523 0.564 . . . . 61.119999999999997 112.523 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.43 -30.15 71.19 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.871 0.468 . . . . 53.32 111.569 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.52 HD21 HG12 ' B' ' 30' ' ' ILE . 80.0 mt -93.44 -14.71 26.41 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 123.861 0.864 . . . . 72.109999999999999 112.536 178.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -65.12 120.59 12.96 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 122.707 0.403 . . . . 61.329999999999998 110.586 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.81 -33.52 6.5 Favored Glycine 0 CA--C 1.536 1.359 0 CA-C-N 115.693 -0.685 . . . . 61.310000000000002 113.142 -175.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 12.1 p -83.05 173.0 12.13 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.341 0.656 . . . . 65.109999999999999 111.443 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -81.51 1.32 34.0 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.981 0.512 . . . . 70.310000000000002 112.324 175.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.65 139.86 11.07 Favored Glycine 0 C--N 1.349 1.288 0 C-N-CA 123.028 0.346 . . . . 62.509999999999998 112.408 -173.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.483 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 83.8 mt -127.91 166.04 19.06 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 122.996 0.518 . . . . 71.230000000000004 111.702 -173.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' B' ' 65' ' ' PHE . 82.2 p -81.76 169.17 17.25 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 122.896 0.478 . . . . 73.0 111.078 178.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . 0.432 ' HB3' ' HB ' ' B' ' 64' ' ' ILE . 4.7 pt20 -53.52 -38.82 64.12 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.383 0.673 . . . . 74.430000000000007 112.494 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -61.48 -45.02 96.0 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.797 0.839 . . . . 72.340000000000003 111.509 178.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . 0.483 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 18.8 mm-40 -74.25 -28.23 61.12 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.613 0.765 . . . . 71.340000000000003 112.596 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.52 HG12 HD21 ' B' ' 19' ' ' LEU . 89.3 mt -72.48 -47.59 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 122.981 0.512 . . . . 65.310000000000002 110.558 175.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -59.99 -25.71 65.47 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.117 0.967 . . . . 72.530000000000001 111.808 173.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -68.7 -56.45 8.11 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 123.546 0.738 . . . . 71.310000000000002 110.798 172.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.06 -35.83 78.86 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 113.177 0.806 . . . . 53.100000000000001 113.177 -173.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 65.0 p -93.21 -13.0 28.89 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.71 0.804 . . . . 73.409999999999997 112.097 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm 67.88 19.2 9.55 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 125.048 1.339 . . . . 62.240000000000002 111.856 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -76.77 82.15 3.37 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.124 0.57 . . . . 74.329999999999998 110.447 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -67.22 -19.72 65.58 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.495 0.718 . . . . 74.409999999999997 112.408 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.59 135.4 33.51 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 109.781 -0.452 . . . . 60.119999999999997 109.781 172.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -64.18 -35.16 79.87 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.352 1.061 . . . . 72.209999999999994 111.621 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -57.38 -46.79 83.05 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.054 1.341 . . . . 71.120000000000005 113.107 -175.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.12 -32.74 74.42 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.647 0.779 . . . . 72.310000000000002 111.409 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -65.26 -48.21 74.03 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 116.027 -0.533 . . . . 61.229999999999997 111.259 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -63.37 -41.4 98.81 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 122.919 0.488 . . . . 72.530000000000001 112.219 -174.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -69.1 -44.56 72.21 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.166 0.586 . . . . 53.520000000000003 111.445 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . 0.443 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -61.73 -46.02 95.06 Favored Glycine 0 N--CA 1.479 1.538 0 O-C-N 123.098 0.249 . . . . 72.540000000000006 112.903 175.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.04 -37.33 84.54 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.243 1.017 . . . . 73.430000000000007 111.814 177.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.24 -31.1 77.94 Favored Glycine 0 N--CA 1.474 1.194 0 CA-C-N 115.958 -0.565 . . . . 51.340000000000003 112.783 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' TRP . . . . . 0.486 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 8.8 t-105 -77.21 -30.59 54.77 Favored 'General case' 0 CA--C 1.561 1.369 0 C-N-CA 123.538 0.735 . . . . 74.120000000000005 111.153 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.678 HD23 HG11 ' B' ' 55' ' ' VAL . 5.2 mp -62.44 -30.78 71.48 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.022 0.439 . . . . 74.319999999999993 110.953 171.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 37.6 mt -70.45 -34.98 73.07 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-N 115.498 -0.774 . . . . 74.329999999999998 112.368 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.66 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 8.3 ptp180 -62.61 -35.6 80.08 Favored 'General case' 0 N--CA 1.504 2.258 0 N-CA-C 113.16 0.8 . . . . 60.229999999999997 113.16 -178.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.65 ' HG3' ' HG3' ' B' ' 51' ' ' ARG . 46.7 mt-10 -94.61 -8.34 38.33 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.812 0.445 . . . . 73.329999999999998 111.188 -177.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 63.94 28.26 14.47 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.229 1.012 . . . . 65.299999999999997 110.617 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.43 ' HD2' ' HB2' ' B' ' 52' ' ' GLU . 15.6 ptmt -84.99 -3.24 58.7 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.897 0.879 . . . . 74.329999999999998 112.066 -171.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.678 HG11 HD23 ' B' ' 49' ' ' LEU . 34.4 m -133.35 158.41 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 C-N-CA 123.411 0.684 . . . . 51.119999999999997 112.544 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 79.6 t -110.37 124.24 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.984 0.914 . . . . 64.439999999999998 109.407 167.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 76.0 p -104.27 133.36 49.32 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.891 0.476 . . . . 64.200000000000003 109.995 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 77.4 p -141.31 161.94 36.68 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.303 0.641 . . . . 75.319999999999993 110.401 -177.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -105.62 106.86 17.56 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.049 0.94 . . . . 75.200000000000003 110.009 -174.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 79.4 t -118.14 106.99 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 CA-C-O 120.843 0.354 . . . . 54.240000000000002 110.177 175.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 50.38 38.69 18.65 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 125.52 1.528 . . . . 72.329999999999998 113.174 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.72 -22.31 39.91 Favored Glycine 0 CA--C 1.543 1.787 0 CA-C-N 115.649 -0.705 . . . . 45.329999999999998 114.276 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -83.38 142.94 30.65 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.694 0.759 . . . . 75.129999999999995 112.914 -178.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.432 ' HB ' ' HB3' ' B' ' 27' ' ' GLN . 67.3 mt -74.71 97.3 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 CA-C-N 114.453 -1.248 . . . . 54.43 110.309 173.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' PHE . . . . . 0.458 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 17.0 t80 -90.88 106.43 18.51 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.571 0.748 . . . . 75.019999999999996 110.34 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 39.9 t -106.46 117.21 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.462 0.705 . . . . 64.140000000000001 111.121 -174.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -109.0 165.19 11.77 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.837 0.855 . . . . 62.240000000000002 109.473 174.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 25.1 mt -99.62 140.09 34.32 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-N 118.393 0.542 . . . . 74.209999999999994 110.918 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 98.2 t . . . . . 0 CA--C 1.553 1.074 0 CA-C-O 121.426 0.632 . . . . 74.310000000000002 109.616 171.001 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.52 HD12 ' HD3' ' A' ' 7' ' ' LYS . 34.7 tp . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.083 0.468 . . . . 64.310000000000002 111.797 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -65.99 -40.49 91.21 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 124.128 0.971 . . . . 74.540000000000006 112.275 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.16 -51.71 68.42 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.478 0.711 . . . . 64.329999999999998 111.683 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.52 ' HD3' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -66.32 -42.61 87.99 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.841 -0.618 . . . . 62.450000000000003 111.313 177.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 7' ' ' LYS . . . -63.57 -32.48 73.96 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.52 0.728 . . . . 64.120000000000005 111.429 -176.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.89 -33.08 58.12 Favored Glycine 0 CA--C 1.536 1.405 0 CA-C-N 114.995 -1.002 . . . . 65.530000000000001 113.386 176.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.71 -39.42 64.35 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.348 0.659 . . . . 72.310000000000002 111.123 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.422 HD23 ' NE2' ' A' ' 14' ' ' GLN . 91.3 mt -65.38 -36.34 83.68 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.78 0.832 . . . . 72.319999999999993 110.287 173.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.97 -45.24 87.05 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.705 0.802 . . . . 74.099999999999994 111.93 174.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.43 -40.41 97.58 Favored Glycine 0 CA--C 1.54 1.604 0 CA-C-N 115.73 -0.668 . . . . 53.009999999999998 113.549 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.422 ' NE2' HD23 ' A' ' 11' ' ' LEU . 49.8 mt-30 -69.57 -46.11 67.12 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.736 0.814 . . . . 74.120000000000005 111.942 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.667 HG23 HG21 ' A' ' 30' ' ' ILE . 68.1 mt -68.03 -38.43 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 123.969 0.908 . . . . 52.409999999999997 111.645 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -64.14 -46.08 85.66 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 122.791 0.436 . . . . 75.150000000000006 110.893 173.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -63.2 -26.27 68.72 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 112.63 0.604 . . . . 74.129999999999995 112.63 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.01 84.84 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 121.093 0.473 . . . . 54.539999999999999 110.584 171.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.48 -22.02 57.57 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.182 0.993 . . . . 44.240000000000002 112.24 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -76.76 126.66 31.36 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.185 0.594 . . . . 60.439999999999998 109.649 -178.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.28 -4.06 66.91 Favored Glycine 0 CA--C 1.538 1.472 0 CA-C-N 116.217 -0.447 . . . . 51.340000000000003 112.945 -170.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.3 p -126.67 168.63 14.09 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.93 0.892 . . . . 71.340000000000003 110.281 174.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -100.59 7.81 43.79 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.111 0.565 . . . . 73.219999999999999 111.81 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.71 136.05 2.72 Favored Glycine 0 C--N 1.35 1.342 0 N-CA-C 113.885 0.314 . . . . 62.299999999999997 113.885 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.483 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 84.2 mt -132.18 160.24 36.67 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.598 1.159 . . . . 60.020000000000003 110.268 177.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.3 p -88.59 -178.0 5.71 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.339 0.655 . . . . 72.109999999999999 111.161 171.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -56.11 -48.19 76.64 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.698 0.399 . . . . 62.130000000000003 111.891 176.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -49.99 75.57 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.576 0.75 . . . . 71.349999999999994 111.987 -178.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.483 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 51.4 mt-30 -61.46 -35.33 77.31 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.613 0.765 . . . . 64.019999999999996 112.332 -174.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.667 HG21 HG23 ' A' ' 15' ' ' ILE . 76.5 mt -74.81 -49.8 28.02 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 C-N-CA 123.154 0.582 . . . . 73.430000000000007 111.345 173.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -56.74 -27.19 58.85 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 124.817 1.247 . . . . 75.400000000000006 111.873 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -67.92 -52.72 32.93 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.51 1.124 . . . . 70.540000000000006 111.524 172.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.16 -40.17 82.4 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.484 0.714 . . . . 53.310000000000002 112.181 -176.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.7 p -84.28 -26.36 28.63 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.446 1.098 . . . . 61.140000000000001 112.143 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt 59.83 37.73 21.7 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 124.662 1.185 . . . . 74.129999999999995 112.172 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.539 ' HB3' ' HB2' ' A' ' 41' ' ' ASP . 94.1 mt -68.36 124.02 22.37 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.539 -0.755 . . . . 64.329999999999998 109.994 174.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -55.05 -34.99 64.01 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.091 0.956 . . . . 73.519999999999996 113.303 -170.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.95 174.21 10.87 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.746 0.818 . . . . 64.120000000000005 111.341 -176.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.51 -33.07 75.03 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 114.796 -1.093 . . . . 65.439999999999998 111.272 170.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -55.13 -43.34 74.03 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.873 1.269 . . . . 70.400000000000006 112.538 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.539 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 2.9 m-20 -62.32 -38.46 89.53 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 124.235 1.014 . . . . 65.109999999999999 110.449 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -65.68 -39.98 91.88 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 114.801 -1.09 . . . . 75.340000000000003 112.267 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.474 ' CE2' ' HD2' ' B' ' 40' ' ' LYS . 43.7 m-85 -66.56 -33.29 75.35 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 112.551 0.575 . . . . 72.0 112.551 -178.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.9 mp -66.91 -39.38 87.38 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.229 0.612 . . . . 64.219999999999999 111.44 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.651 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -76.15 -53.32 5.74 Favored Glycine 0 CA--C 1.537 1.435 0 CA-C-N 116.325 -0.398 . . . . 62.329999999999998 113.345 177.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.34 -36.34 77.75 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 123.85 0.86 . . . . 72.099999999999994 112.053 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.36 -30.57 78.21 Favored Glycine 0 N--CA 1.477 1.375 0 CA-C-N 115.258 -0.883 . . . . 64.439999999999998 112.066 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.643 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 7.3 t-105 -71.21 -44.4 65.46 Favored 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 123.316 0.646 . . . . 72.209999999999994 110.504 172.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.511 HD23 HG11 ' A' ' 55' ' ' VAL . 6.2 mp -58.06 -29.5 65.45 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.247 0.619 . . . . 63.219999999999999 111.957 177.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.2 mt -71.02 -43.75 67.28 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.297 0.639 . . . . 71.230000000000004 112.649 171.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.643 ' HE ' ' HA ' ' A' ' 48' ' ' TRP . 12.9 ptp180 -59.78 -29.03 67.92 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 113.58 0.955 . . . . 71.329999999999998 113.58 -170.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -99.78 -6.8 26.37 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.847 0.859 . . . . 73.25 112.853 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 61.23 46.43 7.95 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.832 0.853 . . . . 61.329999999999998 109.945 -168.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -93.58 -15.67 25.17 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 114.886 -1.052 . . . . 72.299999999999997 111.053 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.511 HG11 HD23 ' A' ' 49' ' ' LEU . 35.3 m -137.22 165.74 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 C-N-CA 123.772 0.829 . . . . 75.420000000000002 112.067 173.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.1 t -112.22 124.91 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 124.079 0.952 . . . . 73.019999999999996 109.212 169.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.5 p -112.58 133.81 54.43 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.294 0.638 . . . . 73.239999999999995 110.394 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 64.2 m -135.05 154.62 51.64 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.501 1.121 . . . . 53.130000000000003 110.187 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -97.84 107.1 19.52 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.41 0.684 . . . . 64.329999999999998 109.375 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 64.8 t -115.35 108.77 26.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.644 0.778 . . . . 53.310000000000002 109.861 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 54.03 32.51 15.7 Favored 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 124.796 1.239 . . . . 71.140000000000001 113.174 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.11 -25.64 23.04 Favored Glycine 0 CA--C 1.543 1.786 0 CA-C-N 116.197 -0.456 . . . . 74.140000000000001 114.196 -176.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -77.04 142.91 39.65 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.299 1.04 . . . . 65.209999999999994 111.715 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.9 mt -80.04 101.03 4.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 N-CA-C 109.257 -0.646 . . . . 62.439999999999998 109.257 169.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -88.76 142.64 27.5 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.329 0.652 . . . . 71.409999999999997 109.513 171.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.0 p -139.73 146.57 25.03 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 C-N-CA 123.131 0.573 . . . . 75.219999999999999 111.125 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -139.71 178.5 7.19 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.779 0.831 . . . . 44.450000000000003 109.637 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.1 mt -90.58 168.79 11.54 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 122.449 1.118 . . . . 71.329999999999998 113.903 -176.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.48 1.06 0 CA-C-N 113.637 -1.62 . . . . 73.239999999999995 110.846 175.371 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 12.6 tpt . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 112.347 0.499 . . . . 62.229999999999997 112.347 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 mp -65.66 -20.47 66.31 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 123.294 0.638 . . . . 72.530000000000001 111.592 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.427 ' HE2' ' HH2' ' B' ' 48' ' ' TRP . 20.5 tptm -62.17 -55.96 23.52 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.948 0.899 . . . . 73.439999999999998 111.704 167.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -78.9 -35.42 43.58 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 112.906 0.706 . . . . 73.310000000000002 112.906 -168.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -31.6 71.08 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 117.727 0.239 . . . . 72.0 111.245 178.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.92 80.57 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.27 0.628 . . . . 64.109999999999999 111.579 173.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.09 -32.09 63.49 Favored Glycine 0 CA--C 1.543 1.804 0 CA-C-N 115.808 -0.633 . . . . 73.140000000000001 114.322 175.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.82 -41.81 67.74 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.197 0.599 . . . . 61.130000000000003 111.219 176.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.608 ' HA ' HE21 ' B' ' 14' ' ' GLN . 41.6 mt -62.33 -39.87 94.51 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.309 1.044 . . . . 72.030000000000001 110.571 172.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -58.62 -38.73 78.64 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.137 0.975 . . . . 50.229999999999997 112.283 176.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.98 -44.0 98.73 Favored Glycine 0 CA--C 1.536 1.388 0 CA-C-N 115.788 -0.642 . . . . 73.200000000000003 113.01 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.608 HE21 ' HA ' ' B' ' 11' ' ' LEU . 47.3 mt-30 -62.69 -47.28 84.31 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.437 0.695 . . . . 74.439999999999998 111.515 177.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.472 HD11 ' HA ' ' B' ' 42' ' ' PHE . 74.2 mt -67.81 -36.06 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 123.788 0.835 . . . . 73.109999999999999 111.619 -177.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -63.75 -49.02 74.66 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.725 0.41 . . . . 74.319999999999993 110.106 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.94 -33.45 71.92 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.965 0.506 . . . . 61.009999999999998 111.711 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.0 93.01 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.822 0.849 . . . . 33.43 112.239 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.506 HD21 HG13 ' B' ' 66' ' ' VAL . 9.9 mp -86.52 -13.99 44.32 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.612 0.765 . . . . 63.149999999999999 111.856 177.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -73.11 129.79 38.86 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.331 0.652 . . . . 71.319999999999993 111.095 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.75 1.77 90.59 Favored Glycine 0 CA--C 1.543 1.793 0 N-CA-C 114.359 0.504 . . . . 72.140000000000001 114.359 -178.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.3 p -124.15 169.39 11.76 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.776 0.83 . . . . 72.040000000000006 110.333 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -9.57 59.31 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.252 1.021 . . . . 73.030000000000001 113.244 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.535 ' HA3' ' HG2' ' B' ' 67' ' ' LYS . . . 122.51 143.23 6.4 Favored Glycine 0 N--CA 1.484 1.855 0 CA-C-N 117.83 0.287 . . . . 51.210000000000001 113.032 -179.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mp -127.33 162.73 25.58 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.176 0.59 . . . . 71.400000000000006 111.9 -172.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 70.1 p -87.85 162.92 16.68 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.571 0.749 . . . . 70.400000000000006 110.248 169.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -51.25 -44.86 61.86 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 114.592 1.331 . . . . 74.049999999999997 114.592 -169.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -65.91 -39.49 90.61 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 123.149 0.579 . . . . 63.420000000000002 112.175 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -66.64 -32.67 74.14 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.697 0.799 . . . . 72.329999999999998 111.393 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.401 HG21 HG23 ' B' ' 15' ' ' ILE . 64.1 mt -70.57 -44.69 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.28 0.632 . . . . 71.239999999999995 110.464 174.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -60.44 -26.05 66.45 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.725 0.81 . . . . 62.100000000000001 111.976 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -66.2 -55.12 17.8 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.515 0.726 . . . . 62.340000000000003 111.572 170.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.92 -39.14 87.27 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.22 0.608 . . . . 72.430000000000007 112.175 -176.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 72.1 p -78.69 -21.14 48.63 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.222 1.009 . . . . 75.349999999999994 111.795 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp 64.9 27.87 12.75 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 124.866 1.266 . . . . 61.210000000000001 111.59 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 83.1 mt -83.85 125.87 32.4 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.79 0.836 . . . . 75.200000000000003 110.377 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -78.41 -49.01 14.27 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.282 0.633 . . . . 74.219999999999999 110.653 176.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.48 129.48 35.77 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.174 0.59 . . . . 72.129999999999995 111.797 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.13 -27.22 68.58 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.704 0.802 . . . . 61.130000000000003 111.606 172.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.474 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 26.0 mmtp -70.55 -40.51 73.34 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.737 0.815 . . . . 63.299999999999997 111.568 -171.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.32 -33.37 75.67 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 123.125 0.57 . . . . 51.219999999999999 111.134 172.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 0.472 ' HA ' HD11 ' B' ' 15' ' ' ILE . 39.0 t80 -64.54 -41.04 96.61 Favored 'General case' 0 CA--C 1.563 1.463 0 C-N-CA 122.901 0.48 . . . . 72.439999999999998 111.478 171.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -68.61 -39.31 80.91 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 111.923 0.342 . . . . 73.310000000000002 111.923 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.25 -40.89 90.49 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.346 0.658 . . . . 74.310000000000002 111.105 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . 0.426 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -67.35 -48.75 56.4 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 116.288 -0.415 . . . . 52.140000000000001 113.437 176.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.55 -31.53 72.79 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.802 0.841 . . . . 73.329999999999998 111.459 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.06 -31.34 79.08 Favored Glycine 0 N--CA 1.475 1.235 0 CA-C-N 115.409 -0.814 . . . . 55.340000000000003 112.388 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' TRP . . . . . 0.438 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 31.2 t-105 -74.54 -32.12 62.34 Favored 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 123.58 0.752 . . . . 65.400000000000006 111.157 175.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.606 HD23 HG11 ' B' ' 55' ' ' VAL . 6.4 mp -63.94 -31.69 72.96 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.091 0.557 . . . . 75.450000000000003 111.202 171.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.11 -41.48 81.69 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.557 0.743 . . . . 52.310000000000002 112.424 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.469 ' HD3' ' HG3' ' B' ' 52' ' ' GLU . 0.0 OUTLIER -71.97 -16.23 62.08 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 113.086 0.772 . . . . 70.230000000000004 113.086 -177.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.469 ' HG3' ' HD3' ' B' ' 51' ' ' ARG . 42.6 mt-10 -102.64 -16.29 16.1 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.968 0.507 . . . . 73.140000000000001 111.732 172.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 61.01 35.26 19.01 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.104 0.961 . . . . 73.109999999999999 112.144 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -82.57 -2.13 52.8 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 116.158 -0.474 . . . . 64.310000000000002 110.746 176.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.606 HG11 HD23 ' B' ' 49' ' ' LEU . 29.4 m -135.03 159.53 41.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 N-CA-C 113.132 0.79 . . . . 42.439999999999998 113.132 178.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.641 HG23 ' HA ' ' B' ' 69' ' ' VAL . 73.3 t -113.47 123.27 68.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 114.672 -1.149 . . . . 60.409999999999997 108.386 163.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 36.1 p -106.82 144.87 32.85 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.894 0.878 . . . . 60.299999999999997 111.298 -176.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 96.9 p -152.12 172.62 16.06 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.277 1.031 . . . . 55.329999999999998 109.866 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -119.88 113.66 20.9 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 109.529 -0.545 . . . . 74.120000000000005 109.529 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.0 t -123.0 119.7 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.37 1.068 . . . . 70.310000000000002 110.167 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 50.22 35.25 10.03 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 125.576 1.55 . . . . 64.140000000000001 113.997 176.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.28 4.7 70.87 Favored Glycine 0 CA--C 1.543 1.797 0 N-CA-C 115.078 0.791 . . . . 71.430000000000007 115.078 176.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -119.79 159.32 24.79 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.742 0.817 . . . . 71.430000000000007 111.579 174.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 57.4 mt -79.54 107.63 12.18 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 CA-C-N 116.049 -0.523 . . . . 74.140000000000001 109.843 172.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -99.05 125.6 44.58 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.293 0.637 . . . . 75.420000000000002 109.679 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.506 HG13 HD21 ' B' ' 19' ' ' LEU . 4.0 p -139.71 144.79 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.411 0 N-CA-C 112.34 0.496 . . . . 65.129999999999995 112.34 -174.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.535 ' HG2' ' HA3' ' B' ' 24' ' ' GLY . 51.5 mtmt -128.62 161.01 30.64 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 124.38 1.072 . . . . 73.099999999999994 109.819 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.442 HD23 HG12 ' B' ' 55' ' ' VAL . 72.0 mt -80.17 65.95 5.5 Favored 'General case' 0 N--CA 1.5 2.039 0 CA-C-N 119.151 0.887 . . . . 61.329999999999998 111.38 175.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.641 ' HA ' HG23 ' B' ' 56' ' ' VAL . 11.1 t . . . . . 0 N--CA 1.503 2.223 0 C-N-CA 124.879 1.272 . . . . 74.140000000000001 111.989 -174.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 111.975 0.361 . . . . 72.310000000000002 111.975 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -68.44 -36.96 79.78 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.437 0.695 . . . . 71.340000000000003 111.299 173.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -71.94 -49.45 37.42 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.483 0.313 . . . . 71.140000000000001 111.626 -174.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -63.66 -25.23 68.12 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 111.74 0.274 . . . . 61.329999999999998 111.74 179.227 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.85 95.03 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.046 0.538 . . . . 71.450000000000003 110.718 171.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.04 -35.24 64.6 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 115.186 -0.915 . . . . 75.040000000000006 113.697 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.19 -43.51 97.99 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.336 0.655 . . . . 73.420000000000002 112.043 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 75.5 mt -77.19 -18.81 57.47 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.476 0.71 . . . . 73.099999999999994 111.953 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.39 -53.27 60.08 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.218 0.607 . . . . 61.399999999999999 112.539 177.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.34 -42.03 81.69 Favored Glycine 0 CA--C 1.54 1.629 0 N-CA-C 115.081 0.792 . . . . 33.229999999999997 115.081 -178.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -74.48 -36.03 63.27 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 122.855 0.462 . . . . 73.209999999999994 112.191 -177.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.537 HG23 HG21 ' A' ' 30' ' ' ILE . 68.8 mt -67.9 -41.88 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 C-N-CA 122.79 0.436 . . . . 75.319999999999993 110.303 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.47 ' CD1' ' HE2' ' A' ' 54' ' ' LYS . 80.9 t90 -57.22 -47.27 81.75 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.444 0.698 . . . . 73.209999999999994 110.856 175.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -64.88 -30.27 71.26 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.94 0.896 . . . . 65.129999999999995 113.093 177.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.82 -37.73 87.02 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-O 121.108 0.48 . . . . 75.400000000000006 110.885 174.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.515 ' HA ' HD13 ' A' ' 25' ' ' LEU . 8.4 mp -81.24 -25.77 36.38 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.992 0.917 . . . . 72.329999999999998 112.178 177.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -69.16 135.71 51.06 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 112.27 0.471 . . . . 71.319999999999993 112.27 -174.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.11 5.68 89.94 Favored Glycine 0 CA--C 1.538 1.517 0 CA-C-N 115.626 -0.715 . . . . 73.519999999999996 113.717 -175.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.3 m -124.94 160.68 28.33 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.993 0.917 . . . . 71.200000000000003 109.943 -177.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -86.08 -0.03 54.61 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.273 0.629 . . . . 74.409999999999997 112.377 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.39 139.2 4.16 Favored Glycine 0 C--N 1.353 1.487 0 N-CA-C 113.919 0.328 . . . . 71.019999999999996 113.919 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.515 HD13 ' HA ' ' A' ' 19' ' ' LEU . 5.4 mp -122.99 154.43 38.45 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.689 0.795 . . . . 73.439999999999998 110.105 178.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.8 p -91.06 163.19 14.39 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 109.565 -0.532 . . . . 74.239999999999995 109.565 167.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -54.4 -30.02 50.83 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.946 0.899 . . . . 55.219999999999999 113.383 -176.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -41.66 99.11 Favored 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 123.771 0.829 . . . . 55.140000000000001 112.275 175.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -76.94 -38.87 52.52 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.7 0.8 . . . . 70.519999999999996 112.744 -176.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.537 HG21 HG23 ' A' ' 15' ' ' ILE . 51.4 mt -62.55 -45.07 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 C-N-CA 123.378 0.671 . . . . 53.310000000000002 112.462 -173.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -65.07 -25.28 67.74 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.11 0.564 . . . . 72.349999999999994 112.358 -177.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -65.13 -49.75 68.73 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.527 0.731 . . . . 61.030000000000001 110.763 170.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.48 -33.05 70.81 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 115.457 -0.792 . . . . 62.119999999999997 112.568 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.2 p -94.11 -22.31 18.56 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.807 0.843 . . . . 75.420000000000002 112.67 -177.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt 69.16 23.04 6.54 Favored 'General case' 0 CA--C 1.571 1.776 0 C-N-CA 124.929 1.292 . . . . 65.200000000000003 112.31 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.4 mt -64.72 -38.97 92.8 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 112.638 0.607 . . . . 64.010000000000005 112.638 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm 70.51 -64.07 0.38 Allowed 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.961 1.304 . . . . 74.319999999999993 112.184 -175.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.422 ' HB1' ' HD3' ' A' ' 40' ' ' LYS . . . -70.83 133.12 46.23 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.396 0.678 . . . . 74.239999999999995 111.669 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -65.38 -29.3 69.99 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.141 0.576 . . . . 74.209999999999994 110.726 168.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.557 ' H ' ' HD2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -56.55 -56.34 22.48 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 124.89 1.276 . . . . 63.020000000000003 111.807 -176.801 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.22 -29.03 67.77 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.727 0.811 . . . . 73.340000000000003 110.888 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -64.4 -38.71 91.97 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-N 115.251 -0.886 . . . . 64.450000000000003 111.734 177.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -67.53 -34.27 76.74 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 122.792 0.437 . . . . 65.140000000000001 112.123 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -70.49 -43.28 70.04 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.804 0.442 . . . . 74.329999999999998 111.04 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.417 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -66.92 -53.13 28.64 Favored Glycine 0 CA--C 1.539 1.577 0 CA-C-N 116.56 -0.291 . . . . 63.409999999999997 113.315 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.701 HD11 HG21 ' A' ' 66' ' ' VAL . 54.9 tp -65.8 -32.02 73.31 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.964 0.906 . . . . 74.319999999999993 111.629 178.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.43 -31.62 79.36 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-N 115.62 -0.718 . . . . 74.519999999999996 111.954 174.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -74.98 -25.7 59.03 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.007 0.523 . . . . 72.099999999999994 111.357 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.595 HD23 HG11 ' A' ' 55' ' ' VAL . 6.0 mp -64.87 -29.61 70.57 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 122.764 0.426 . . . . 73.5 111.462 169.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.8 mt -75.57 -34.08 60.66 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.286 0.634 . . . . 70.420000000000002 111.179 170.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.55 ' HD3' ' HA ' ' B' ' 51' ' ' ARG . 21.9 tpt180 -56.97 -42.09 79.54 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.516 0.727 . . . . 72.120000000000005 110.76 167.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.438 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 50.7 mt-10 -83.84 -19.65 34.54 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.059 0.543 . . . . 75.340000000000003 111.463 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 66.17 15.28 10.03 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 125.52 1.528 . . . . 54.530000000000001 111.847 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HE2' ' CD1' ' A' ' 16' ' ' TRP . 40.9 mtpt -80.83 3.48 22.39 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.186 0.994 . . . . 74.209999999999994 112.914 -176.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.595 HG11 HD23 ' A' ' 49' ' ' LEU . 23.8 m -130.22 150.6 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 114.331 1.234 . . . . 52.030000000000001 114.331 177.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 t -100.69 124.86 54.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.147 0 C-N-CA 125.068 1.347 . . . . 64.319999999999993 109.396 166.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.9 p -106.4 146.3 30.65 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 123.302 0.641 . . . . 71.25 111.866 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -157.18 171.6 20.14 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 124.768 1.227 . . . . 44.210000000000001 110.063 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -118.12 122.48 43.19 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.114 0.566 . . . . 74.430000000000007 109.991 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 37.5 t -120.45 113.69 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 123.801 0.84 . . . . 62.119999999999997 109.96 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 53.43 41.21 32.14 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.528 1.531 . . . . 75.25 113.607 172.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.64 -0.12 84.6 Favored Glycine 0 CA--C 1.536 1.345 0 CA-C-N 115.484 -0.78 . . . . 72.040000000000006 115.0 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -117.57 155.4 29.87 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 117.693 0.747 . . . . 73.510000000000005 110.883 177.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.7 mt -75.72 109.36 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 123.609 0.764 . . . . 73.310000000000002 110.4 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -97.48 121.59 39.55 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.488 0.715 . . . . 74.329999999999998 109.449 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.701 HG21 HD11 ' A' ' 46' ' ' LEU . 7.3 p -137.31 144.41 31.82 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-O 121.437 0.637 . . . . 63.0 111.443 -177.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -140.3 176.9 8.39 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.915 0.886 . . . . 72.319999999999993 109.365 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.442 HD23 HG12 ' A' ' 55' ' ' VAL . 46.0 mt -85.77 156.93 20.4 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-O 121.325 0.583 . . . . 73.129999999999995 111.882 178.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 CA--C 1.554 1.126 0 N-CA-C 108.556 -0.905 . . . . 73.420000000000002 108.556 168.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . 0.709 ' HB3' ' HG2' ' B' ' 6' ' ' GLU . 13.5 tpt . . . . . 0 CA--C 1.547 0.858 0 N-CA-C 109.19 -0.67 . . . . 61.229999999999997 109.19 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.91 -17.44 56.71 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.178 0.591 . . . . 72.239999999999995 111.641 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -62.92 -48.2 79.95 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 124.039 0.936 . . . . 72.209999999999994 110.98 170.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.709 ' HG2' ' HB3' ' B' ' 3' ' ' MET . 11.9 mm-40 -69.99 -40.27 75.41 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.187 0.595 . . . . 61.43 110.675 -178.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -57.09 -49.96 74.24 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.163 0.985 . . . . 74.349999999999994 111.661 175.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.1 -37.23 66.58 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 115.067 -0.97 . . . . 44.310000000000002 111.212 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.15 -34.44 69.91 Favored Glycine 0 CA--C 1.538 1.506 0 CA-C-N 115.681 -0.691 . . . . 74.420000000000002 114.302 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.84 -47.27 72.5 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.387 0.675 . . . . 74.519999999999996 111.774 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.518 ' HA ' HE21 ' B' ' 14' ' ' GLN . 68.6 mt -67.74 -34.57 77.09 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.7 0.8 . . . . 73.099999999999994 111.202 176.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.439 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -58.49 -46.83 85.88 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.436 1.094 . . . . 30.140000000000001 113.411 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.64 -35.28 51.67 Favored Glycine 0 C--N 1.35 1.356 0 O-C-N 123.802 0.689 . . . . 64.120000000000005 113.578 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.518 HE21 ' HA ' ' B' ' 11' ' ' LEU . 36.4 mt-30 -70.3 -51.07 33.05 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.782 0.833 . . . . 74.519999999999996 111.343 176.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 62.1 mt -63.48 -40.39 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 123.727 0.811 . . . . 75.540000000000006 112.219 -174.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -58.9 -50.06 75.46 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.292 0.637 . . . . 71.549999999999997 110.552 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.11 -25.89 67.97 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.474 0.71 . . . . 75.209999999999994 112.472 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.95 -43.96 81.8 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.241 0.616 . . . . 62.149999999999999 111.077 172.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 80.2 mt -74.93 -20.76 59.56 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.604 0.762 . . . . 73.450000000000003 111.783 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -68.93 127.29 32.59 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.988 0.915 . . . . 72.430000000000007 110.811 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.14 3.72 84.76 Favored Glycine 0 CA--C 1.537 1.456 0 N-CA-C 114.028 0.371 . . . . 41.109999999999999 114.028 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 19.5 m -128.33 161.81 28.55 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.68 0.792 . . . . 53.32 110.461 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -79.52 23.09 0.42 Allowed 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 124.289 1.035 . . . . 63.409999999999997 112.266 176.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.34 150.31 23.71 Favored Glycine 0 C--N 1.348 1.198 0 C-N-CA 123.204 0.43 . . . . 55.5 112.604 -173.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.7 mt -123.3 155.18 37.75 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.537 0.735 . . . . 71.530000000000001 110.379 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 63.9 p -83.76 167.14 17.41 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.36 0.664 . . . . 74.230000000000004 109.633 170.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -57.55 -30.34 65.13 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 122.828 0.451 . . . . 71.450000000000003 111.662 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -61.14 -52.87 63.06 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.338 1.055 . . . . 62.420000000000002 111.816 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -70.47 -38.76 74.48 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.104 0.961 . . . . 73.019999999999996 112.323 -175.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 91.8 mt -61.08 -45.48 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 123.44 0.696 . . . . 73.439999999999998 110.911 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -55.89 -41.7 74.87 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 123.508 0.505 . . . . 74.150000000000006 112.353 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -70.98 -49.63 43.23 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 112.344 0.498 . . . . 70.340000000000003 112.344 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.12 -27.39 68.9 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.486 0.714 . . . . 71.450000000000003 112.697 -177.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 72.7 p -103.71 -20.07 14.09 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.975 0.91 . . . . 61.100000000000001 112.631 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 66.49 29.07 9.31 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.815 1.246 . . . . 71.439999999999998 112.289 -173.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt -75.32 127.72 33.79 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.866 0.467 . . . . 73.329999999999998 109.859 172.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -80.58 -27.78 37.34 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 113.344 0.868 . . . . 72.310000000000002 113.344 -169.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.96 158.13 43.43 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 121.435 0.636 . . . . 54.140000000000001 112.298 -173.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -60.96 -28.27 68.85 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 115.146 -0.934 . . . . 71.310000000000002 110.892 170.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -54.33 -45.96 72.79 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.71 1.204 . . . . 70.150000000000006 112.964 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -66.91 -36.61 82.66 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 121.652 0.739 . . . . 65.230000000000004 110.316 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -68.45 -44.51 74.71 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 114.452 -1.249 . . . . 72.109999999999999 112.352 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -66.22 -40.26 90.16 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 122.973 0.509 . . . . 74.530000000000001 112.373 -176.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mp -71.67 -43.24 66.37 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.961 0.505 . . . . 71.450000000000003 111.009 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . 0.418 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -63.75 -53.33 38.72 Favored Glycine 0 CA--C 1.539 1.542 0 CA-C-N 116.416 -0.357 . . . . 73.219999999999999 113.123 176.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.04 -34.92 74.05 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 124.272 1.029 . . . . 55.219999999999999 111.93 176.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.56 -31.47 79.9 Favored Glycine 0 N--CA 1.475 1.242 0 CA-C-N 115.894 -0.594 . . . . 63.549999999999997 112.552 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' TRP . . . . . 0.439 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 55.2 t-105 -74.49 -35.76 63.25 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.683 0.793 . . . . 65.219999999999999 111.423 174.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.653 HD23 HG11 ' B' ' 55' ' ' VAL . 7.4 mp -62.39 -34.57 76.97 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.258 0.623 . . . . 64.519999999999996 110.98 172.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 81.9 mt -74.94 -36.49 62.12 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.78 0.832 . . . . 72.200000000000003 111.052 174.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.55 ' HA ' ' HD3' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -67.37 -31.88 72.42 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.85 0.46 . . . . 73.219999999999999 110.804 -179.694 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -99.2 -2.26 37.2 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.901 0.48 . . . . 70.200000000000003 111.549 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 t70 64.32 18.32 11.24 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 124.921 1.288 . . . . 75.150000000000006 112.335 172.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -73.56 -11.92 60.6 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.038 0.935 . . . . 64.530000000000001 112.951 -175.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.653 HG11 HD23 ' B' ' 49' ' ' LEU . 33.4 m -130.86 159.72 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-O 121.547 0.689 . . . . 72.319999999999993 111.972 -178.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -119.38 133.35 66.47 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 124.785 1.234 . . . . 53.109999999999999 109.776 172.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 37.3 p -103.11 139.57 38.45 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.121 0.968 . . . . 71.319999999999993 111.631 -172.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 59.5 m -143.02 165.93 26.02 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.634 1.174 . . . . 75.540000000000006 109.488 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -121.7 120.51 34.89 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.289 -0.634 . . . . 74.439999999999998 109.289 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 38.7 t -103.75 107.1 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 108.898 -0.778 . . . . 62.43 108.898 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 49.57 39.71 17.75 Favored 'General case' 0 CA--C 1.563 1.462 0 C-N-CA 125.429 1.492 . . . . 73.329999999999998 113.229 173.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.79 10.2 53.13 Favored Glycine 0 CA--C 1.541 1.709 0 N-CA-C 116.135 1.214 . . . . 53.009999999999998 116.135 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -132.83 160.47 36.83 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 119.374 1.587 . . . . 71.209999999999994 112.735 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 65.1 mt -73.64 110.92 7.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 124.29 1.036 . . . . 73.129999999999995 111.092 -176.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -117.33 116.85 28.03 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.088 0.955 . . . . 74.010000000000005 109.598 176.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 33.3 t -122.35 148.86 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 123.005 0.522 . . . . 73.239999999999995 110.88 -175.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.8 157.16 43.94 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.29 0.636 . . . . 72.129999999999995 109.786 175.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.545 HD23 HG12 ' B' ' 55' ' ' VAL . 63.7 mt -67.73 155.19 39.83 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.488 0.315 . . . . 72.430000000000007 111.116 177.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 CA--C 1.552 1.042 0 CA-C-O 121.389 0.614 . . . . 71.230000000000004 109.778 173.26 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 tt . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 112.352 0.501 . . . . 74.019999999999996 112.352 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -69.22 -48.92 60.62 Favored 'General case' 0 CA--C 1.56 1.339 0 C-N-CA 123.392 0.677 . . . . 72.319999999999993 111.783 -177.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.93 -38.63 69.82 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 122.862 0.465 . . . . 71.230000000000004 112.003 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -32.02 64.13 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 122.753 0.421 . . . . 64.329999999999998 110.891 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.03 97.61 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.142 0.577 . . . . 74.439999999999998 111.154 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.27 -42.98 93.83 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-N 115.512 -0.767 . . . . 41.409999999999997 113.586 174.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.73 91.43 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.415 0.686 . . . . 72.450000000000003 112.359 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.8 mt -70.16 -27.65 64.71 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.806 0.842 . . . . 61.350000000000001 112.074 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.401 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -58.06 -42.43 85.46 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 113.33 0.863 . . . . 64.129999999999995 113.33 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.38 -53.21 36.21 Favored Glycine 0 CA--C 1.538 1.495 0 O-C-N 123.85 0.719 . . . . 72.319999999999993 114.875 -176.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.455 ' NE2' HD21 ' A' ' 36' ' ' LEU . 28.3 pt20 -69.27 -36.33 77.0 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.496 0.718 . . . . 65.219999999999999 112.493 -176.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.575 HG23 HG21 ' A' ' 30' ' ' ILE . 68.6 mt -65.19 -44.56 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 123.08 0.552 . . . . 75.329999999999998 110.423 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -59.49 -45.47 91.61 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-N 115.315 -0.857 . . . . 70.109999999999999 111.239 175.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.03 -25.93 65.63 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.735 0.814 . . . . 60.219999999999999 112.757 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.6 -30.37 68.11 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 122.998 0.519 . . . . 61.210000000000001 111.2 172.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.562 HD21 HD11 ' A' ' 30' ' ' ILE . 87.8 mt -88.1 -20.67 25.38 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.819 0.848 . . . . 70.340000000000003 112.003 176.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -70.57 123.38 21.7 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.841 0.456 . . . . 73.230000000000004 111.257 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.4 -15.42 63.3 Favored Glycine 0 CA--C 1.54 1.619 0 CA-C-N 115.929 -0.578 . . . . 54.530000000000001 114.131 -176.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.9 p -106.69 171.04 7.58 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.716 0.806 . . . . 72.120000000000005 111.335 -177.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -89.24 2.99 53.48 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 122.892 0.477 . . . . 74.25 111.952 175.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.535 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 113.28 144.53 9.01 Favored Glycine 0 C--N 1.349 1.305 0 N-CA-C 114.085 0.394 . . . . 64.219999999999999 114.085 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.569 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 2.7 mm? -126.92 166.54 17.32 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.329 1.052 . . . . 74.010000000000005 109.757 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.1 p -87.35 170.07 11.73 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 110.201 -0.296 . . . . 74.150000000000006 110.201 169.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -55.14 -37.25 66.7 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.014 0.526 . . . . 75.150000000000006 112.042 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -61.38 -44.38 97.26 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.84 1.256 . . . . 64.540000000000006 112.109 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.569 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 11.1 mm-40 -74.12 -39.52 63.29 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 115.509 -0.768 . . . . 61.210000000000001 111.101 -177.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.575 HG21 HG23 ' A' ' 15' ' ' ILE . 79.0 mt -65.2 -42.18 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 123.481 0.713 . . . . 65.510000000000005 111.79 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -54.04 -32.89 55.84 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 123.367 0.667 . . . . 72.5 112.307 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -70.81 -49.94 40.97 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.192 0.597 . . . . 61.119999999999997 111.234 174.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.79 76.54 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.041 0.936 . . . . 52.340000000000003 112.787 -175.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.6 p -101.68 -10.49 19.96 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.442 1.097 . . . . 45.140000000000001 112.447 -177.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt 68.95 25.35 6.04 Favored 'General case' 0 CA--C 1.571 1.75 0 C-N-CA 124.312 1.045 . . . . 72.230000000000004 111.468 176.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.455 HD21 ' NE2' ' A' ' 14' ' ' GLN . 68.5 mt -78.47 93.29 4.74 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.019 -0.537 . . . . 50.240000000000002 110.401 177.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -34.98 72.68 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.439 1.096 . . . . 62.119999999999997 112.261 -178.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -104.51 141.07 37.04 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.879 0.871 . . . . 53.420000000000002 110.419 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.56 -25.01 63.79 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.379 0.672 . . . . 73.319999999999993 110.381 172.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -53.02 -35.85 59.87 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.662 1.185 . . . . 71.400000000000006 112.596 169.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -67.59 -41.17 84.53 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-O 121.327 0.584 . . . . 72.129999999999995 110.236 174.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -71.2 -46.35 61.45 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.298 -0.864 . . . . 75.239999999999995 112.19 -174.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.95 -43.7 98.29 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 112.408 0.521 . . . . 70.329999999999998 112.408 -172.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 mp -73.59 -36.79 65.58 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.394 0.677 . . . . 74.400000000000006 111.047 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.431 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -65.1 -46.39 88.6 Favored Glycine 0 CA--C 1.54 1.647 0 CA-C-N 116.701 -0.227 . . . . 64.209999999999994 112.656 172.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.7 tp -63.57 -33.82 76.44 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 124.802 1.241 . . . . 74.140000000000001 111.302 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.12 -31.53 81.03 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-N 115.344 -0.843 . . . . 52.43 112.319 176.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.447 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 15.5 t-105 -75.81 -34.03 60.14 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 123.398 0.679 . . . . 73.019999999999996 110.894 175.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.551 ' HA ' ' HD3' ' A' ' 54' ' ' LYS . 8.4 mp -62.12 -38.92 90.77 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.338 0.655 . . . . 75.099999999999994 111.837 172.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -75.9 -34.21 59.93 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.067 0.547 . . . . 72.109999999999999 110.992 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.525 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -63.59 -34.45 77.84 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.43 0.692 . . . . 70.329999999999998 112.276 -177.847 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.525 ' HG3' ' HG3' ' A' ' 51' ' ' ARG . 67.5 mt-10 -103.14 6.96 38.74 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 112.704 0.631 . . . . 71.319999999999993 112.704 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 63.1 28.46 16.08 Favored 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 124.046 0.938 . . . . 64.230000000000004 112.521 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.551 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 21.1 mtpp -71.51 -27.81 63.47 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.118 0.967 . . . . 71.319999999999993 111.033 -176.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.569 HG12 HD23 ' A' ' 68' ' ' LEU . 32.1 m -137.55 175.25 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 123.704 0.802 . . . . 73.409999999999997 111.789 -171.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -133.1 136.23 55.58 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 C-N-CA 124.621 1.168 . . . . 74.120000000000005 109.43 171.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.0 p -112.14 151.73 29.14 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.585 0.754 . . . . 74.120000000000005 111.189 -174.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.5 t -150.12 170.17 19.56 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.494 1.118 . . . . 64.409999999999997 109.91 -176.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -110.87 107.57 17.09 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.054 0.541 . . . . 71.129999999999995 110.301 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.576 HG12 ' HG2' ' A' ' 61' ' ' GLU . 54.4 t -110.92 117.17 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 123.732 0.813 . . . . 62.130000000000003 109.365 174.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.576 ' HG2' HG12 ' A' ' 60' ' ' VAL . 7.2 pt-20 46.86 43.54 13.46 Favored 'General case' 0 N--CA 1.5 2.034 0 C-N-CA 125.326 1.451 . . . . 70.420000000000002 113.937 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 73.94 15.85 79.59 Favored Glycine 0 CA--C 1.538 1.473 0 N-CA-C 114.606 0.602 . . . . 64.209999999999994 114.606 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -126.82 152.95 46.27 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.678 0.791 . . . . 74.409999999999997 110.501 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.7 mt -74.54 113.19 12.74 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 C-N-CA 123.083 0.553 . . . . 72.329999999999998 110.996 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -98.33 139.65 33.78 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.049 0.939 . . . . 72.420000000000002 109.091 169.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.5 p -140.85 147.17 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 122.593 0.357 . . . . 55.109999999999999 111.834 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.535 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 22.8 pttp -152.52 154.04 34.66 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.382 0.673 . . . . 72.400000000000006 110.141 175.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.569 HD23 HG12 ' A' ' 55' ' ' VAL . 38.7 mt -64.15 149.13 48.4 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 112.088 0.403 . . . . 60.039999999999999 112.088 -178.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.1 t . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.159 -0.682 . . . . 74.019999999999996 109.159 170.184 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 30.9 mmt . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 121.446 0.641 . . . . 74.129999999999995 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.58 HD22 ' HD2' ' B' ' 7' ' ' LYS . 2.6 tm? -57.19 -35.85 70.12 Favored 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 124.931 1.292 . . . . 73.299999999999997 111.741 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.438 ' HG3' ' HZ3' ' B' ' 48' ' ' TRP . 38.6 ttmt -65.64 -39.81 91.82 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.078 0.551 . . . . 73.420000000000002 112.122 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.2 -41.12 77.53 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.381 0.673 . . . . 65.030000000000001 112.201 -174.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.58 ' HD2' HD22 ' B' ' 4' ' ' LEU . 0.0 OUTLIER -73.44 -27.07 61.23 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 122.515 0.326 . . . . 72.409999999999997 111.844 175.147 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.51 -38.57 91.49 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.127 0.571 . . . . 54.219999999999999 111.35 174.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.54 -32.72 84.2 Favored Glycine 0 CA--C 1.539 1.551 0 CA-C-N 115.724 -0.671 . . . . 70.430000000000007 113.874 174.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.05 -45.13 71.16 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.028 0.531 . . . . 71.140000000000001 111.508 174.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.39 -33.47 73.72 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.811 0.844 . . . . 64.310000000000002 111.48 176.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.09 -43.58 74.09 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.585 0.754 . . . . 63.420000000000002 112.191 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.46 -50.98 61.9 Favored Glycine 0 CA--C 1.533 1.206 0 CA-C-N 115.455 -0.793 . . . . 43.009999999999998 113.893 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -69.88 -33.7 72.57 Favored 'General case' 0 CA--C 1.557 1.232 0 N-CA-C 112.406 0.521 . . . . 73.420000000000002 112.406 -176.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.634 HG23 HG21 ' B' ' 30' ' ' ILE . 90.5 mt -67.79 -43.84 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 123.493 0.717 . . . . 63.149999999999999 111.047 177.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . 0.44 ' HE1' ' HG2' ' B' ' 54' ' ' LYS . 73.1 t90 -61.68 -43.42 98.89 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.266 0.627 . . . . 73.25 110.948 174.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -63.43 -37.79 88.63 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 123.952 0.901 . . . . 73.349999999999994 110.28 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.31 84.8 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.792 0.837 . . . . 74.5 111.607 175.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.546 HD21 HD11 ' B' ' 30' ' ' ILE . 85.3 mt -76.45 -24.75 53.92 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.883 0.873 . . . . 75.019999999999996 112.471 177.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -72.02 133.3 45.21 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 122.527 0.331 . . . . 71.519999999999996 110.623 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.77 -1.28 78.11 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 115.974 -0.557 . . . . 43.219999999999999 114.303 -176.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 32.8 p -122.32 169.53 10.84 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.52 0.728 . . . . 55.509999999999998 110.302 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -82.33 3.71 26.73 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.156 0.582 . . . . 73.5 111.513 173.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.13 153.26 8.34 Favored Glycine 0 C--N 1.348 1.199 0 C-N-CA 123.664 0.65 . . . . 71.140000000000001 112.107 -174.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.575 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 80.8 mt -134.62 154.39 51.52 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.944 0.897 . . . . 71.129999999999995 109.979 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 69.0 p -77.69 167.44 21.57 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.495 0.318 . . . . 64.430000000000007 110.269 171.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -57.47 -35.03 69.64 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 122.858 0.463 . . . . 72.310000000000002 112.179 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -67.79 -42.53 81.48 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.995 0.918 . . . . 62.420000000000002 111.591 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . 0.575 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 15.2 mm-40 -67.89 -37.0 81.21 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 120.801 0.334 . . . . 71.200000000000003 111.694 -178.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.634 HG21 HG23 ' B' ' 15' ' ' ILE . 60.8 mt -69.2 -42.61 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.184 0.594 . . . . 75.239999999999995 110.569 173.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -52.24 -45.88 65.5 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 125.133 1.373 . . . . 62.25 111.111 176.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -67.98 -46.65 70.75 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 114.295 -1.32 . . . . 41.100000000000001 111.369 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.58 -29.21 67.69 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.894 0.701 . . . . 74.019999999999996 112.894 -176.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 76.8 p -94.1 -15.98 24.21 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.791 0.836 . . . . 64.219999999999999 111.712 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt 65.22 27.96 12.13 Favored 'General case' 0 CA--C 1.568 1.662 0 C-N-CA 124.71 1.204 . . . . 73.230000000000004 111.705 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -71.61 137.09 47.69 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 115.613 -0.721 . . . . 75.400000000000006 110.701 177.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -82.61 -50.21 9.01 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.592 0.757 . . . . 60.229999999999997 110.935 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.81 134.73 40.57 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.506 0.722 . . . . 72.150000000000006 110.866 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.11 -23.78 67.24 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 124.165 0.986 . . . . 74.409999999999997 111.654 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.411 ' O ' HD13 ' B' ' 44' ' ' LEU . 31.3 mmtp -61.67 -35.16 77.19 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.088 0.955 . . . . 74.129999999999995 111.709 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.59 -37.51 87.82 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.1 0.56 . . . . 71.310000000000002 110.976 173.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -64.75 -45.29 87.08 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 115.819 -0.628 . . . . 54.530000000000001 111.47 173.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -65.03 -37.15 86.66 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 122.729 0.412 . . . . 73.230000000000004 111.824 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.411 HD13 ' O ' ' B' ' 40' ' ' LYS . 2.5 mp -67.5 -45.97 74.3 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.337 1.055 . . . . 75.239999999999995 111.295 177.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . 0.481 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -68.08 -44.43 77.22 Favored Glycine 0 CA--C 1.537 1.468 0 CA-C-N 116.116 -0.493 . . . . 55.549999999999997 113.109 178.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 63.8 tp -64.49 -31.85 73.24 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.935 0.894 . . . . 75.319999999999993 111.219 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.87 -31.38 78.15 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-N 115.761 -0.654 . . . . 73.340000000000003 112.451 175.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' TRP . . . . . 0.472 ' O ' ' HG2' ' B' ' 52' ' ' GLU . 8.1 t-105 -75.53 -30.92 59.92 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.587 0.755 . . . . 54.43 111.079 175.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.573 HD23 HG11 ' B' ' 55' ' ' VAL . 6.4 mp -68.71 -33.37 73.83 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 123.125 0.57 . . . . 63.200000000000003 111.377 173.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 94.3 mt -71.72 -35.71 70.26 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.819 0.847 . . . . 73.299999999999997 110.845 171.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.45 ' HB2' ' HB2' ' A' ' 51' ' ' ARG . 19.8 ttt85 -56.64 -48.21 78.03 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.224 1.009 . . . . 74.400000000000006 111.643 172.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' B' ' 48' ' ' TRP . 25.5 mm-40 -78.37 -17.71 56.1 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.196 -0.456 . . . . 74.200000000000003 111.708 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.15 28.32 17.88 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 124.223 1.009 . . . . 71.349999999999994 110.586 -171.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.44 ' HG2' ' HE1' ' B' ' 16' ' ' TRP . 33.0 ttpt -88.56 -5.92 57.88 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 114.692 -1.14 . . . . 75.150000000000006 111.44 -173.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.573 HG11 HD23 ' B' ' 49' ' ' LEU . 29.0 m -133.51 162.71 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 CA-C-O 121.527 0.68 . . . . 73.400000000000006 112.279 175.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 37.6 t -106.94 126.79 62.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 125.609 1.564 . . . . 75.5 109.823 170.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 21.5 p -104.23 136.56 43.61 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 121.432 0.634 . . . . 43.200000000000003 111.404 176.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 47.3 t -147.23 170.64 16.83 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.145 1.378 . . . . 74.129999999999995 109.127 -175.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -120.06 122.24 40.64 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.96 -0.462 . . . . 75.129999999999995 111.828 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.39 107.79 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 123.699 0.8 . . . . 60.229999999999997 109.622 168.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 55.17 39.11 31.34 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.049 1.34 . . . . 71.209999999999994 113.451 173.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.32 -26.36 15.88 Favored Glycine 0 CA--C 1.54 1.609 0 N-CA-C 114.389 0.516 . . . . 52.149999999999999 114.389 -176.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -81.54 149.15 28.8 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.293 0.637 . . . . 74.349999999999994 112.01 177.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 74.2 mt -77.97 105.71 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.391 0.676 . . . . 55.439999999999998 110.501 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -95.1 117.21 29.81 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.273 0.629 . . . . 74.409999999999997 109.984 173.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.43 147.08 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.101 0.56 . . . . 74.420000000000002 110.032 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -145.18 152.16 39.57 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.232 0.613 . . . . 65.0 109.504 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 66.5 mt -72.36 145.78 47.52 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 112.534 0.568 . . . . 75.349999999999994 112.534 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 77.0 t . . . . . 0 CA--C 1.553 1.068 0 N-CA-C 109.035 -0.728 . . . . 73.0 109.035 165.817 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 113.571 0.952 . . . . 73.120000000000005 113.571 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 5' ' ' LYS . 43.1 mtpt -64.12 -47.39 80.16 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.388 0.675 . . . . 71.510000000000005 111.165 169.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -73.52 -29.67 62.62 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.296 1.038 . . . . 63.310000000000002 111.08 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -67.02 -43.72 82.14 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 123.591 0.756 . . . . 65.209999999999994 109.909 170.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.29 -31.32 71.89 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.533 0.733 . . . . 73.510000000000005 111.311 171.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.19 -32.11 65.81 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-N 115.792 -0.64 . . . . 43.009999999999998 113.427 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.1 -37.27 69.56 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.271 0.628 . . . . 54.310000000000002 110.666 174.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.621 ' HA ' HE21 ' A' ' 14' ' ' GLN . 84.0 mt -66.81 -36.51 82.55 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.529 0.732 . . . . 44.350000000000001 110.446 171.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.403 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -58.76 -48.2 82.02 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.063 0.945 . . . . 64.099999999999994 112.848 178.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.42 -53.97 32.35 Favored Glycine 0 CA--C 1.537 1.453 0 O-C-N 123.871 0.732 . . . . 71.340000000000003 113.966 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.621 HE21 ' HA ' ' A' ' 11' ' ' LEU . 29.6 pt20 -64.76 -32.98 74.91 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 112.383 0.512 . . . . 75.010000000000005 112.383 -177.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.7 mt -70.3 -39.35 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 C-N-CA 122.853 0.461 . . . . 75.439999999999998 111.16 178.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -60.87 -52.36 65.39 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.936 0.494 . . . . 71.439999999999998 111.099 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.32 -31.91 66.15 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 122.84 0.456 . . . . 74.450000000000003 112.187 175.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.84 -41.13 87.94 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.198 0.599 . . . . 65.230000000000004 111.526 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.557 HD21 HD11 ' A' ' 30' ' ' ILE . 96.1 mt -79.82 -18.0 51.92 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.631 0.772 . . . . 54.210000000000001 112.467 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -74.7 136.75 41.82 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.278 0.631 . . . . 73.049999999999997 110.543 175.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.4 -44.78 3.39 Favored Glycine 0 CA--C 1.541 1.674 0 C-N-CA 122.661 0.172 . . . . 72.099999999999994 113.522 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.6 p -75.27 161.85 28.96 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.071 0.549 . . . . 62.229999999999997 111.61 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -67.38 -10.17 48.58 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 123.732 0.813 . . . . 61.100000000000001 112.698 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 117.95 142.19 7.0 Favored Glycine 0 C--N 1.343 0.971 0 N-CA-C 111.07 -0.812 . . . . 71.540000000000006 111.07 -170.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.429 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 94.2 mt -128.03 154.43 45.66 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 117.481 0.64 . . . . 72.299999999999997 110.836 -172.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.2 p -86.3 170.73 11.8 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.494 0.718 . . . . 74.5 110.508 173.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -27.8 66.99 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 118.345 0.521 . . . . 53.539999999999999 111.992 179.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -69.69 -44.13 71.05 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 124.495 1.118 . . . . 71.430000000000007 111.94 174.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 93.9 mt-30 -76.31 -39.38 54.25 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.487 0.715 . . . . 64.120000000000005 111.91 -176.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.557 HD11 HD21 ' A' ' 19' ' ' LEU . 85.2 mt -64.86 -33.39 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 124.02 0.928 . . . . 74.040000000000006 110.951 173.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HE3' ' HB3' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -52.47 -47.2 66.65 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.826 0.85 . . . . 75.140000000000001 110.593 175.071 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -69.41 -46.46 66.78 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 115.126 -0.943 . . . . 62.0 112.228 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.54 -42.88 99.81 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.686 0.794 . . . . 71.200000000000003 113.038 -174.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.9 p -87.73 -7.51 57.27 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.063 0.945 . . . . 72.040000000000006 112.943 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp 67.51 51.33 0.86 Allowed 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 124.668 1.187 . . . . 65.450000000000003 112.289 176.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -133.18 173.22 11.67 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.461 0.704 . . . . 62.210000000000001 110.875 174.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -124.18 -30.88 3.4 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.465 0.706 . . . . 72.109999999999999 110.877 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.83 108.94 19.4 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.365 0.666 . . . . 71.040000000000006 111.549 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.464 ' HB3' ' HE3' ' A' ' 31' ' ' LYS . 2.4 p-10 -59.16 -24.43 63.03 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 124.245 1.018 . . . . 53.119999999999997 112.159 169.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -51.95 -42.81 63.16 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.268 1.027 . . . . 65.530000000000001 112.02 174.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.52 -36.53 71.08 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.783 0.833 . . . . 44.340000000000003 111.134 176.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.418 ' CZ ' HD22 ' A' ' 46' ' ' LEU . 40.3 t80 -59.11 -39.13 81.34 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.724 0.81 . . . . 72.349999999999994 112.116 176.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -66.84 -36.21 81.82 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 122.71 0.404 . . . . 71.0 111.892 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.33 -44.43 91.54 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.641 0.777 . . . . 52.340000000000003 111.249 173.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.432 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -69.12 -49.51 39.98 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-N 116.043 -0.526 . . . . 74.409999999999997 113.779 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.732 HD11 HG21 ' A' ' 66' ' ' VAL . 50.7 tp -64.89 -34.12 77.63 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.65 0.78 . . . . 75.510000000000005 111.311 -178.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.11 -31.02 79.3 Favored Glycine 0 N--CA 1.472 1.077 0 CA-C-N 115.527 -0.761 . . . . 71.219999999999999 112.202 175.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.403 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 10.7 t-105 -77.17 -30.29 54.85 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 123.145 0.578 . . . . 62.530000000000001 111.161 175.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.639 HD23 HG11 ' A' ' 55' ' ' VAL . 6.6 mp -64.59 -37.34 87.22 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.041 0.536 . . . . 71.420000000000002 110.844 171.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.8 mt -66.56 -44.87 81.14 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 122.96 0.504 . . . . 63.340000000000003 111.605 177.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.461 ' HB2' ' HB2' ' B' ' 51' ' ' ARG . 0.1 OUTLIER -65.62 -22.96 66.71 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 113.983 1.105 . . . . 71.420000000000002 113.983 -175.195 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -101.07 -3.43 29.29 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 117.928 0.331 . . . . 64.040000000000006 111.817 173.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.6 t70 62.32 45.83 6.4 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.546 1.138 . . . . 73.340000000000003 110.31 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -84.31 -26.06 28.81 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 114.902 -1.045 . . . . 73.150000000000006 111.13 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.639 HG11 HD23 ' A' ' 49' ' ' LEU . 29.4 m -133.46 158.51 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 113.165 0.802 . . . . 75.049999999999997 113.165 -171.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -120.7 136.1 58.79 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 124.357 1.063 . . . . 72.230000000000004 110.563 170.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.9 p -102.57 134.41 45.97 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.977 0.911 . . . . 73.200000000000003 110.627 -178.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.1 m -121.41 139.7 53.11 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.78 1.232 . . . . 75.540000000000006 109.499 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -98.07 104.14 16.15 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.13 0.572 . . . . 71.030000000000001 110.613 -175.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.6 t -116.43 107.37 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 123.085 0.554 . . . . 61.530000000000001 109.886 174.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 51.21 36.98 17.21 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 125.144 1.378 . . . . 62.5 113.571 174.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.95 -23.81 15.81 Favored Glycine 0 CA--C 1.541 1.675 0 N-CA-C 114.782 0.673 . . . . 41.219999999999999 114.782 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -70.11 137.11 50.86 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.705 0.802 . . . . 62.100000000000001 111.973 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 59.8 mt -75.64 94.56 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 N-CA-C 109.396 -0.594 . . . . 75.140000000000001 109.396 173.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -98.61 101.86 13.42 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 108.516 -0.92 . . . . 73.209999999999994 108.516 173.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.732 HG21 HD11 ' A' ' 46' ' ' LEU . 7.4 p -116.6 151.83 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 122.934 0.494 . . . . 74.340000000000003 110.531 -176.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.408 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 63.6 pttt -151.66 177.89 9.91 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.939 0.896 . . . . 53.409999999999997 108.943 177.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.7 mt -69.07 166.92 17.11 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.097 0.408 . . . . 64.230000000000004 111.603 175.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 82.0 t . . . . . 0 N--CA 1.49 1.527 0 C-N-CA 123.043 0.537 . . . . 74.510000000000005 111.125 171.297 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 50.2 ttm . . . . . 0 CA--C 1.564 1.482 0 CA-C-O 120.305 0.098 . . . . 75.150000000000006 111.119 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.418 ' H ' HD12 ' B' ' 4' ' ' LEU . 6.3 mp -53.41 -29.94 37.63 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.509 0.723 . . . . 72.120000000000005 111.825 176.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -68.78 -51.22 43.38 Favored 'General case' 0 CA--C 1.559 1.29 0 C-N-CA 124.161 0.984 . . . . 74.239999999999995 111.734 174.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.02 -48.69 80.67 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.651 0.78 . . . . 64.299999999999997 112.274 -175.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -67.17 -29.8 69.59 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 112.824 0.676 . . . . 73.5 112.824 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -24.56 63.46 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.664 0.785 . . . . 71.439999999999998 112.143 173.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.37 -31.32 80.48 Favored Glycine 0 CA--C 1.543 1.796 0 CA-C-N 115.569 -0.741 . . . . 63.32 113.848 172.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.25 89.96 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.11 0.564 . . . . 74.5 111.472 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.67 -38.78 90.25 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 115.768 -0.651 . . . . 74.319999999999993 110.502 174.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.72 -48.4 81.27 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.903 0.881 . . . . 63.439999999999998 112.822 176.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.68 -52.97 44.78 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.308 -0.86 . . . . 33.240000000000002 113.9 -177.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -66.97 -34.51 77.91 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.525 0.73 . . . . 60.009999999999998 112.815 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.653 HD12 ' HA3' ' B' ' 45' ' ' GLY . 69.2 mt -64.9 -43.92 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 C-N-CA 122.877 0.471 . . . . 51.149999999999999 111.079 176.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -59.64 -42.68 93.3 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.44 0.696 . . . . 74.439999999999998 110.83 174.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -66.64 -30.23 70.45 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.929 0.891 . . . . 63.409999999999997 112.359 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.32 -34.26 74.38 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.192 0.597 . . . . 73.209999999999994 111.185 173.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.604 HD21 HD11 ' B' ' 30' ' ' ILE . 91.9 mt -79.34 -26.74 42.06 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.111 0.965 . . . . 73.450000000000003 112.697 176.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -65.11 125.68 25.71 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.992 0.517 . . . . 73.209999999999994 112.106 -172.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.12 -35.52 4.07 Favored Glycine 0 CA--C 1.537 1.423 0 CA-C-N 116.087 -0.506 . . . . 74.120000000000005 113.641 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 60.6 p -84.42 167.51 16.39 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.16 0.584 . . . . 61.32 111.909 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -86.28 34.36 0.63 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.031 0.933 . . . . 64.420000000000002 111.547 173.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.518 ' HA3' ' HG2' ' B' ' 67' ' ' LYS . . . 88.12 157.63 32.25 Favored Glycine 0 C--N 1.346 1.109 0 CA-C-N 116.065 -0.516 . . . . 74.510000000000005 113.754 175.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.468 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 98.3 mt -136.63 156.17 48.91 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.216 1.007 . . . . 72.109999999999999 110.108 -176.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 43.5 p -75.72 171.21 14.74 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.124 0.57 . . . . 75.099999999999994 110.928 172.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -55.38 -40.15 70.98 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.772 0.429 . . . . 61.240000000000002 110.954 172.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -60.77 -53.18 60.54 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 124.018 0.927 . . . . 71.329999999999998 111.945 176.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . 0.468 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 87.1 mm-40 -66.05 -37.29 85.46 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.826 0.85 . . . . 75.540000000000006 112.375 -175.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.604 HD11 HD21 ' B' ' 19' ' ' LEU . 91.7 mt -67.12 -45.38 86.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.276 0.63 . . . . 44.420000000000002 110.765 174.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.489 ' HG2' ' HB2' ' B' ' 36' ' ' LEU . 24.4 mtpp -61.51 -26.62 68.04 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.811 0.444 . . . . 52.43 111.975 176.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -71.25 -54.1 12.07 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.699 0.4 . . . . 73.420000000000002 111.452 171.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.12 -34.29 78.04 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 112.991 0.737 . . . . 74.400000000000006 112.991 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.46 ' OG1' ' HG ' ' B' ' 36' ' ' LEU . 69.1 p -99.72 -13.29 19.37 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 123.943 0.897 . . . . 63.200000000000003 112.227 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . 0.257 14.6 ptmm? 53.31 49.1 20.53 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 125.92 1.688 . . . . 74.329999999999998 112.99 -178.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.56 HD22 ' HB3' ' B' ' 41' ' ' ASP . 98.0 mt -64.46 143.81 57.64 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 114.763 -1.108 . . . . 64.430000000000007 111.526 174.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -73.06 -56.59 4.92 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.365 0.666 . . . . 53.299999999999997 112.278 -175.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.76 173.39 7.24 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.834 0.826 . . . . 73.530000000000001 112.575 -173.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -58.47 -38.77 78.26 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 125.331 1.452 . . . . 64.230000000000004 111.337 174.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.463 ' HA ' ' HD2' ' B' ' 43' ' ' PHE . 35.6 mmtp -68.33 -33.96 75.25 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.484 1.114 . . . . 65.109999999999999 112.86 -175.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.56 ' HB3' HD22 ' B' ' 36' ' ' LEU . 1.2 m-20 -52.34 -35.22 50.41 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 124.745 1.218 . . . . 74.120000000000005 111.789 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -71.88 -42.09 67.21 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.083 -0.962 . . . . 72.209999999999994 112.182 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.463 ' HD2' ' HA ' ' B' ' 40' ' ' LYS . 54.8 m-85 -68.95 -34.1 74.79 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.09 0.556 . . . . 71.019999999999996 112.266 -176.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.95 -38.52 91.39 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.266 0.626 . . . . 73.340000000000003 111.005 173.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . 0.653 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -75.3 -60.5 3.26 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 115.763 -0.653 . . . . 74.219999999999999 113.579 178.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 47.0 tp -58.19 -35.14 71.18 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.242 1.017 . . . . 61.399999999999999 112.62 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.05 -31.29 80.38 Favored Glycine 0 N--CA 1.479 1.524 0 CA-C-O 121.477 0.487 . . . . 72.129999999999995 112.553 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' TRP . . . . . 0.543 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 13.7 t-105 -74.55 -34.69 63.01 Favored 'General case' 0 CA--C 1.564 1.511 0 C-N-CA 124.196 0.998 . . . . 74.140000000000001 110.838 174.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.606 HD23 HG11 ' B' ' 55' ' ' VAL . 5.9 mp -66.8 -35.01 79.08 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.18 0.592 . . . . 62.25 110.701 174.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 79.3 mt -71.63 -34.78 70.09 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.29 1.036 . . . . 73.310000000000002 111.958 173.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' B' ' 48' ' ' TRP . 5.0 ptt180 -60.39 -27.7 67.64 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 112.451 0.537 . . . . 75.219999999999999 112.451 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.463 ' HG3' ' HG3' ' B' ' 51' ' ' ARG . 32.5 mt-10 -112.38 -4.02 14.37 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.189 0.996 . . . . 72.340000000000003 111.878 177.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 p30 48.69 50.88 16.59 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 125.663 1.585 . . . . 71.109999999999999 113.177 -176.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -87.16 -6.09 58.76 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 114.64 -1.164 . . . . 65.150000000000006 110.796 172.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.606 HG11 HD23 ' B' ' 49' ' ' LEU . 26.9 m -130.0 159.5 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.297 1.039 . . . . 52.109999999999999 112.048 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 3.7 p -116.24 122.66 70.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-N 115.378 -0.828 . . . . 63.520000000000003 109.167 165.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 81.5 p -104.25 147.46 27.45 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.121 0.569 . . . . 70.299999999999997 111.229 -174.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 68.0 m -143.65 166.43 24.88 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.118 0.967 . . . . 75.219999999999999 110.138 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -118.46 121.97 41.61 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.479 0.712 . . . . 72.209999999999994 109.722 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -112.37 106.69 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.927 0.891 . . . . 64.510000000000005 109.106 174.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 47.2 50.71 14.01 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 125.5 1.52 . . . . 75.109999999999999 113.307 170.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.81 -27.1 10.42 Favored Glycine 0 CA--C 1.544 1.853 0 CA-C-N 115.462 -0.79 . . . . 74.439999999999998 114.887 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -91.7 154.85 18.7 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 117.641 0.72 . . . . 72.150000000000006 111.816 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 63.2 mt -88.34 122.62 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 123.311 0.644 . . . . 74.200000000000003 110.898 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -121.79 125.8 47.36 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.315 1.046 . . . . 74.140000000000001 108.84 173.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.6 m -129.52 154.52 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 122.752 0.421 . . . . 62.219999999999999 111.88 -173.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.518 ' HG2' ' HA3' ' B' ' 24' ' ' GLY . 48.2 mtpt -130.88 177.05 7.72 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.612 1.165 . . . . 72.519999999999996 109.579 174.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.494 HD23 HG12 ' B' ' 55' ' ' VAL . 68.0 mt -86.37 160.05 19.19 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.566 0.346 . . . . 72.109999999999999 110.383 166.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 98.2 t . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 109.763 -0.458 . . . . 72.140000000000001 109.763 170.785 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 CA--C 1.555 1.148 0 CA-C-O 121.157 0.503 . . . . 63.109999999999999 110.601 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -70.47 -38.47 74.44 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.822 0.849 . . . . 71.439999999999998 111.669 169.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -64.26 -51.32 64.15 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.417 0.687 . . . . 74.310000000000002 111.783 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -65.85 -32.44 73.96 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 116.596 -0.274 . . . . 74.549999999999997 111.358 177.485 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.455 ' N ' ' HD2' ' A' ' 7' ' ' LYS . . . -63.34 -37.95 89.25 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.11 0.564 . . . . 73.120000000000005 111.159 174.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.6 -32.68 71.18 Favored Glycine 0 CA--C 1.539 1.549 0 CA-C-N 115.714 -0.676 . . . . 64.519999999999996 113.357 173.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.11 -41.71 85.77 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.373 0.669 . . . . 61.140000000000001 111.479 177.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.545 ' HA ' HE21 ' A' ' 14' ' ' GLN . 63.0 mt -75.41 -31.49 60.42 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.599 0.76 . . . . 75.040000000000006 110.676 177.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.87 -55.16 37.95 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.927 0.891 . . . . 62.340000000000003 112.445 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.85 -31.75 47.18 Favored Glycine 0 CA--C 1.537 1.465 0 O-C-N 123.703 0.627 . . . . 62.039999999999999 114.374 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.545 HE21 ' HA ' ' A' ' 11' ' ' LEU . 49.4 mt-30 -73.89 -47.09 40.56 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.612 0.765 . . . . 72.0 111.692 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.415 HG12 HG21 ' A' ' 34' ' ' THR . 54.0 mt -64.57 -43.24 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 122.703 0.401 . . . . 62.210000000000001 110.706 177.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -54.07 -50.23 67.23 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.603 1.161 . . . . 64.310000000000002 111.223 175.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.21 -29.29 68.1 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 115.317 -0.856 . . . . 74.140000000000001 111.685 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.51 -35.92 78.16 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.178 0.591 . . . . 42.219999999999999 111.295 173.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.413 HD23 HD13 ' A' ' 25' ' ' LEU . 74.9 mt -81.48 -24.1 36.96 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.615 0.766 . . . . 70.340000000000003 111.774 176.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -63.58 118.97 8.95 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.552 0.741 . . . . 71.120000000000005 111.22 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.72 -35.07 5.17 Favored Glycine 0 CA--C 1.542 1.745 0 CA-C-N 115.951 -0.568 . . . . 72.420000000000002 113.262 -174.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.0 p -90.07 171.66 9.39 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 112.996 0.739 . . . . 53.130000000000003 112.996 -174.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -91.02 2.33 56.39 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.592 0.757 . . . . 72.439999999999998 111.966 173.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.47 147.71 7.37 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 114.45 0.54 . . . . 71.400000000000006 114.45 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.424 HD23 ' HB3' ' A' ' 29' ' ' GLN . 6.1 mp -124.9 159.23 31.62 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.135 0.974 . . . . 70.239999999999995 109.535 176.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.2 p -89.67 172.08 9.2 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.718 0.407 . . . . 73.510000000000005 110.367 172.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -52.14 -49.98 62.66 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 113.198 0.814 . . . . 74.540000000000006 113.198 -175.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -70.24 -29.8 66.7 Favored 'General case' 0 CA--C 1.56 1.339 0 N-CA-C 112.53 0.567 . . . . 71.209999999999994 112.53 -176.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.424 ' HB3' HD23 ' A' ' 25' ' ' LEU . 50.9 mt-30 -67.31 -44.55 78.89 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 120.938 0.399 . . . . 75.239999999999995 111.331 173.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -68.84 -33.0 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 123.24 0.616 . . . . 73.349999999999994 111.181 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -52.3 -42.98 64.24 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.528 0.731 . . . . 55.130000000000003 111.613 173.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -69.05 -47.63 64.88 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 122.862 0.465 . . . . 71.5 111.378 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.73 93.79 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 112.943 0.72 . . . . 63.130000000000003 112.943 -175.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.415 HG21 HG12 ' A' ' 15' ' ' ILE . 65.9 p -99.24 -13.33 19.74 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.973 0.909 . . . . 64.140000000000001 112.795 -174.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt 63.44 29.62 15.47 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.414 1.086 . . . . 74.099999999999994 112.781 174.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.444 HD21 HD22 ' A' ' 11' ' ' LEU . 92.2 mt -75.86 118.76 18.99 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.913 0.485 . . . . 63.229999999999997 110.523 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -69.89 -54.11 14.94 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.201 0.6 . . . . 71.099999999999994 111.82 -175.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.6 154.58 17.3 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.211 0.604 . . . . 64.230000000000004 111.25 -174.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -60.72 -38.03 83.72 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 124.639 1.176 . . . . 72.519999999999996 111.465 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -57.01 -50.49 72.56 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.21 1.404 . . . . 72.400000000000006 112.077 -175.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.461 ' HB3' HD13 ' A' ' 11' ' ' LEU . 7.9 m-20 -55.04 -37.29 66.51 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.402 1.081 . . . . 61.509999999999998 112.305 178.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -66.18 -45.35 81.14 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 123.512 0.725 . . . . 74.109999999999999 111.856 176.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -69.54 -38.94 77.69 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 112.612 0.597 . . . . 61.32 112.612 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 mp -71.72 -31.93 67.24 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.353 0.661 . . . . 61.329999999999998 110.914 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.98 -62.36 4.55 Favored Glycine 0 CA--C 1.535 1.313 0 CA-C-N 116.242 -0.435 . . . . 31.219999999999999 112.814 174.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.48 -24.64 63.8 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.778 0.431 . . . . 62.109999999999999 110.986 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.39 -30.68 75.52 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 116.362 -0.381 . . . . 72.239999999999995 112.389 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -75.85 -29.27 58.52 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-O 121.399 0.619 . . . . 74.129999999999995 110.367 172.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.573 HD23 HG11 ' A' ' 55' ' ' VAL . 6.5 mp -65.21 -35.81 82.22 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.091 0.556 . . . . 51.409999999999997 110.881 169.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.2 mt -73.47 -34.79 65.54 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.122 0.569 . . . . 65.400000000000006 110.776 173.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.574 ' HA ' ' HD2' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -59.77 -40.7 89.08 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 123.745 0.818 . . . . 74.329999999999998 112.698 -174.561 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -104.17 6.5 35.72 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.622 0.769 . . . . 61.509999999999998 112.17 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 61.0 38.47 17.33 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.079 0.952 . . . . 60.340000000000003 111.835 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -71.22 -25.1 62.35 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.575 1.15 . . . . 73.109999999999999 111.28 174.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.573 HG11 HD23 ' A' ' 49' ' ' LEU . 32.9 m -134.03 166.72 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-O 122.418 1.104 . . . . 73.219999999999999 113.298 -173.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.1 p -128.95 139.5 51.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 CA-C-N 113.182 -1.827 . . . . 72.549999999999997 109.292 169.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.689 HG22 HG12 ' A' ' 66' ' ' VAL . 75.4 p -100.96 171.22 7.78 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.278 0.631 . . . . 71.109999999999999 111.216 -172.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.471 ' HB3' ' HD2' ' A' ' 65' ' ' PHE . 38.7 t -163.21 165.24 24.61 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.207 1.003 . . . . 75.540000000000006 109.956 172.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.502 ' HB2' HD11 ' B' ' 4' ' ' LEU . 1.8 tm-20 -109.23 118.5 36.88 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.825 0.85 . . . . 75.540000000000006 109.721 178.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -117.8 111.95 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 N-CA-C 109.252 -0.647 . . . . 74.420000000000002 109.252 169.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 62.94 34.98 13.67 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 124.213 1.005 . . . . 74.549999999999997 113.017 173.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.87 13.79 82.78 Favored Glycine 0 CA--C 1.542 1.769 0 N-CA-C 114.355 0.502 . . . . 51.5 114.355 -175.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -116.07 150.85 36.65 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 123.963 0.905 . . . . 61.009999999999998 111.187 -175.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.7 mt -73.44 111.15 7.83 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 123.403 0.681 . . . . 65.25 110.759 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.471 ' HD2' ' HB3' ' A' ' 58' ' ' SER . 91.5 t80 -117.55 103.09 9.73 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.73 1.212 . . . . 72.099999999999994 109.29 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.689 HG12 HG22 ' A' ' 57' ' ' THR . 34.0 m -110.26 151.32 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 122.834 0.453 . . . . 63.25 111.016 -176.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.66 158.79 43.92 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.92 0.888 . . . . 74.239999999999995 109.38 177.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.475 HD23 HG12 ' A' ' 55' ' ' VAL . 25.4 mt -61.04 163.69 5.74 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 118.754 0.707 . . . . 75.219999999999999 111.571 176.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 121.945 0.879 . . . . 70.030000000000001 109.803 173.182 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.2 tpt . . . . . 0 CA--C 1.554 1.119 0 N-CA-C 110.145 -0.317 . . . . 71.019999999999996 110.145 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 59' ' ' GLU . 6.5 mp -59.48 -26.0 64.9 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 123.767 0.827 . . . . 72.209999999999994 111.296 178.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -69.98 -50.28 43.3 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.217 1.007 . . . . 65.430000000000007 111.448 173.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -65.16 -48.18 74.41 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 116.273 -0.421 . . . . 64.099999999999994 111.626 -172.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -27.09 67.3 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 116.138 -0.483 . . . . 75.299999999999997 111.672 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.86 99.6 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 122.9 0.48 . . . . 72.430000000000007 110.94 172.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.22 -33.21 68.89 Favored Glycine 0 C--N 1.347 1.166 0 CA-C-N 115.532 -0.758 . . . . 75.5 113.723 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.76 -52.05 54.18 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.299 0.64 . . . . 50.409999999999997 111.378 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.532 HD22 HD21 ' B' ' 36' ' ' LEU . 93.0 mt -62.48 -34.31 76.58 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.654 0.782 . . . . 73.030000000000001 111.517 177.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.99 -38.6 68.05 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.399 0.679 . . . . 71.450000000000003 112.467 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.26 -50.44 67.76 Favored Glycine 0 CA--C 1.541 1.666 0 CA-C-N 115.979 -0.555 . . . . 70.549999999999997 114.181 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -73.79 -33.09 64.07 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 122.911 0.484 . . . . 64.409999999999997 112.147 -177.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.493 HG23 HG21 ' B' ' 30' ' ' ILE . 94.5 mt -64.63 -44.69 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 C-N-CA 122.908 0.483 . . . . 74.230000000000004 110.589 175.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . 0.489 ' CD1' ' HD3' ' B' ' 54' ' ' LYS . 72.2 t90 -61.84 -42.04 98.55 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.28 0.632 . . . . 75.510000000000005 111.436 175.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -60.78 -37.01 80.43 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.194 0.997 . . . . 74.540000000000006 111.382 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.35 86.96 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.053 0.541 . . . . 70.209999999999994 111.583 174.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.488 HD21 HD11 ' B' ' 30' ' ' ILE . 68.3 mt -81.42 -21.34 38.98 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.099 0.96 . . . . 72.239999999999995 111.821 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . 0.632 ' HA ' HD11 ' B' ' 68' ' ' LEU . 28.7 t-20 -71.22 128.9 37.44 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.489 0.716 . . . . 73.109999999999999 111.096 -177.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.07 3.32 74.97 Favored Glycine 0 CA--C 1.539 1.548 0 N-CA-C 114.921 0.729 . . . . 63.310000000000002 114.921 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.9 p -117.14 171.84 7.68 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.723 0.809 . . . . 73.430000000000007 111.322 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.84 -6.95 45.37 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.137 0.975 . . . . 74.409999999999997 112.798 171.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.533 ' HA3' ' HB3' ' B' ' 67' ' ' LYS . . . 98.56 153.97 28.72 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 112.518 -0.233 . . . . 71.25 112.518 -174.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' B' ' 29' ' ' GLN . 5.8 mp -127.62 159.1 35.69 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.641 0.776 . . . . 64.349999999999994 110.087 -175.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 67.0 p -81.24 168.92 17.96 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 116.367 -0.379 . . . . 70.230000000000004 110.716 170.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -50.67 -49.77 56.35 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 124.083 0.953 . . . . 55.329999999999998 111.755 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -61.59 -41.52 97.55 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 124.504 1.122 . . . . 75.439999999999998 112.449 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . 0.475 ' HB3' HD23 ' B' ' 25' ' ' LEU . 78.9 mt-30 -67.91 -41.24 82.98 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.334 0.654 . . . . 71.25 112.259 178.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.493 HG21 HG23 ' B' ' 15' ' ' ILE . 83.0 mt -64.81 -38.12 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 123.211 0.604 . . . . 73.230000000000004 110.894 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -56.9 -37.41 71.37 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 122.619 0.368 . . . . 61.229999999999997 111.873 175.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -71.7 -43.98 64.99 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 122.882 0.473 . . . . 65.230000000000004 111.577 174.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.66 -43.36 84.77 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.523 0.729 . . . . 51.409999999999997 112.63 -176.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 63.2 p -91.99 -19.07 22.79 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.397 1.079 . . . . 64.209999999999994 112.162 -176.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm 72.1 37.53 0.98 Allowed 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 125.184 1.394 . . . . 70.129999999999995 111.952 -175.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.532 HD21 HD22 ' B' ' 11' ' ' LEU . 78.0 mt -80.31 120.36 24.27 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 122.093 -0.379 . . . . 73.239999999999995 111.504 173.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -69.93 -58.38 3.92 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.974 0.91 . . . . 71.409999999999997 111.269 177.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.74 128.57 43.82 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.204 0.602 . . . . 63.420000000000002 111.281 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -65.55 -26.51 67.91 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.1 0.96 . . . . 74.310000000000002 111.625 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -37.66 67.43 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.98 0.912 . . . . 74.239999999999995 111.988 175.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -75.03 -37.23 61.8 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.642 0.777 . . . . 62.549999999999997 111.332 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -56.86 -43.32 81.07 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.528 0.731 . . . . 61.420000000000002 112.159 176.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -65.22 -33.19 75.41 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 112.834 0.679 . . . . 71.409999999999997 112.834 -177.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.72 -35.25 72.62 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.929 0.492 . . . . 64.319999999999993 111.001 174.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . 0.442 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -69.52 -47.33 50.88 Favored Glycine 0 CA--C 1.539 1.562 0 CA-C-N 116.522 -0.308 . . . . 71.340000000000003 113.06 174.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.9 tp -68.17 -29.71 68.64 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.333 1.053 . . . . 75.010000000000005 111.211 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.47 -31.33 68.34 Favored Glycine 0 N--CA 1.472 1.082 0 CA-C-N 115.42 -0.809 . . . . 30.100000000000001 111.707 174.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' TRP . . . . . 0.444 ' O ' ' HG2' ' B' ' 52' ' ' GLU . 10.7 t-105 -74.06 -30.7 62.52 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 123.854 0.862 . . . . 51.240000000000002 110.79 173.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.529 HD23 HG11 ' B' ' 55' ' ' VAL . 7.1 mp -63.35 -40.22 96.68 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.319 0.648 . . . . 63.310000000000002 111.172 170.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.76 -34.68 78.37 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.741 0.816 . . . . 73.439999999999998 111.529 172.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.574 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 11.2 ttt85 -58.58 -47.88 82.8 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.531 0.733 . . . . 73.019999999999996 111.247 171.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.501 ' HB2' ' HG2' ' B' ' 54' ' ' LYS . 50.7 mm-40 -79.26 -17.09 55.4 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 116.231 -0.44 . . . . 74.230000000000004 112.038 -175.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 62.03 27.05 16.36 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.611 1.164 . . . . 63.130000000000003 112.558 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.501 ' HG2' ' HB2' ' B' ' 52' ' ' GLU . 15.1 ptpt -91.27 -7.65 50.55 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.644 0.778 . . . . 75.340000000000003 112.318 -178.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.529 HG11 HD23 ' B' ' 49' ' ' LEU . 16.1 m -133.84 162.68 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 CA-C-O 121.631 0.729 . . . . 41.340000000000003 112.526 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.656 HG13 HG22 ' B' ' 69' ' ' VAL . 31.3 m -112.53 133.92 56.76 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 124.628 1.171 . . . . 52.439999999999998 110.278 166.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . 0.515 ' HA ' HG12 ' B' ' 66' ' ' VAL . 74.9 p -103.93 144.04 32.05 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.559 0.744 . . . . 74.439999999999998 110.093 177.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 89.7 p -149.17 170.64 17.97 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.411 0.685 . . . . 71.040000000000006 110.278 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -116.85 120.87 39.85 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.12 0.968 . . . . 72.519999999999996 109.118 175.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 56.3 t -111.21 107.88 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.395 0.678 . . . . 73.340000000000003 109.62 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 52.27 40.29 28.8 Favored 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 125.304 1.442 . . . . 75.129999999999995 114.088 172.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.05 -7.15 67.02 Favored Glycine 0 CA--C 1.542 1.776 0 N-CA-C 115.038 0.775 . . . . 72.219999999999999 115.038 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -109.2 154.73 21.97 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 117.613 0.706 . . . . 70.329999999999998 111.148 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 58.2 mt -81.11 118.09 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 122.849 0.46 . . . . 52.25 110.107 175.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -114.92 130.06 56.83 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.71 -0.848 . . . . 74.310000000000002 108.71 172.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' B' ' 57' ' ' THR . 33.7 m -135.86 154.82 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 123.004 0.522 . . . . 64.230000000000004 111.121 -176.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.533 ' HB3' ' HA3' ' B' ' 24' ' ' GLY . 20.8 ptmt -160.69 -178.44 6.86 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.209 0.604 . . . . 70.120000000000005 110.134 176.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.632 HD11 ' HA ' ' B' ' 20' ' ' ASN . 14.5 mt -76.25 -179.19 4.91 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 112.516 0.561 . . . . 71.530000000000001 112.516 -175.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.656 HG22 HG13 ' B' ' 56' ' ' VAL . 4.4 t . . . . . 0 N--CA 1.495 1.786 0 C-N-CA 123.815 0.846 . . . . 75.150000000000006 110.427 168.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.484 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 8.7 mp . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.089 0.471 . . . . 74.120000000000005 111.384 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -74.94 -45.74 40.4 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.35 1.06 . . . . 72.150000000000006 110.774 172.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -71.9 -41.25 68.18 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 115.628 -0.714 . . . . 64.129999999999995 111.918 -173.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.484 ' HG2' ' HA ' ' A' ' 4' ' ' LEU . 20.2 ptmt -60.74 -37.25 81.13 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.629 0.371 . . . . 71.25 111.306 175.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 7' ' ' LYS . . . -61.44 -32.41 72.38 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.646 0.779 . . . . 61.43 110.852 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.32 -36.81 59.45 Favored Glycine 0 CA--C 1.537 1.469 0 CA-C-N 114.97 -1.014 . . . . 54.32 113.298 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.65 82.48 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.076 0.55 . . . . 60.009999999999998 111.17 175.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.07 -36.32 81.75 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.075 0.95 . . . . 71.120000000000005 110.593 175.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -58.97 -29.74 67.4 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.836 -0.62 . . . . 63.43 112.216 175.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.86 -54.98 29.49 Favored Glycine 0 CA--C 1.534 1.273 0 O-C-N 123.418 0.449 . . . . 35.439999999999998 113.156 174.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -74.96 -37.44 61.96 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 113.122 0.786 . . . . 63.520000000000003 113.122 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.584 HG23 HG21 ' A' ' 30' ' ' ILE . 83.0 mt -67.93 -41.33 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 123.195 0.598 . . . . 53.439999999999998 111.012 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -65.65 -41.86 92.08 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 122.829 0.452 . . . . 71.420000000000002 111.224 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -62.21 -29.55 70.46 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 112.397 0.517 . . . . 73.409999999999997 112.397 176.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.44 91.04 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 121.238 0.542 . . . . 72.230000000000004 110.925 172.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.527 ' HA ' HD13 ' A' ' 25' ' ' LEU . 51.4 mt -80.38 -23.71 40.27 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.466 1.106 . . . . 52.509999999999998 112.121 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -69.91 133.63 47.54 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.643 0.777 . . . . 73.420000000000002 111.516 -174.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.38 10.77 75.43 Favored Glycine 0 CA--C 1.538 1.525 0 CA-C-N 115.702 -0.681 . . . . 61.219999999999999 114.008 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 m -127.33 159.98 32.76 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.995 0.918 . . . . 75.329999999999998 110.645 -177.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -59.75 -30.03 68.56 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.452 1.101 . . . . 64.400000000000006 113.366 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.669 ' HA3' ' HG2' ' A' ' 67' ' ' LYS . . . 133.11 141.69 4.64 Favored Glycine 0 N--CA 1.477 1.405 0 N-CA-C 111.853 -0.499 . . . . 52.100000000000001 111.853 -171.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 19' ' ' LEU . 7.0 mp -123.68 153.36 40.92 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.329 0.652 . . . . 73.349999999999994 111.334 -170.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.7 p -84.89 -177.54 6.6 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.492 0.717 . . . . 75.129999999999995 110.454 171.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 42.4 mt-30 -57.07 -49.62 75.3 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 119.278 -0.392 . . . . 73.409999999999997 111.592 173.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -58.53 -43.0 89.06 Favored 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 123.519 0.728 . . . . 74.400000000000006 112.347 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.446 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 19.3 mm-40 -67.0 -44.65 79.84 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 115.883 -0.599 . . . . 74.150000000000006 111.98 -176.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.584 HG21 HG23 ' A' ' 15' ' ' ILE . 73.0 mt -67.55 -42.2 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 C-N-CA 122.666 0.386 . . . . 71.450000000000003 110.44 175.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 42.3 tttp -55.88 -35.67 66.76 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 125.367 1.467 . . . . 72.219999999999999 111.426 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -66.41 -52.31 47.93 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-N 114.989 -1.005 . . . . 74.299999999999997 111.061 172.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.49 -22.06 59.26 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 113.611 0.967 . . . . 51.43 113.611 -172.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.8 p -108.8 -19.02 13.56 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.717 0.807 . . . . 70.239999999999995 112.394 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm 67.97 32.39 5.12 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.441 1.096 . . . . 74.120000000000005 112.121 177.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.8 mt -87.87 96.55 10.52 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.733 0.413 . . . . 64.150000000000006 110.652 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -39.93 93.1 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 123.955 0.902 . . . . 72.549999999999997 111.637 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.35 119.95 33.88 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.742 0.817 . . . . 74.200000000000003 110.352 177.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -67.72 -24.4 65.37 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 122.673 0.389 . . . . 64.310000000000002 111.704 176.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -52.04 -41.61 62.44 Favored 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 123.865 0.866 . . . . 64.209999999999994 111.251 174.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -69.99 -44.27 69.72 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.405 1.082 . . . . 74.239999999999995 109.786 177.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.417 ' CE2' ' HG2' ' A' ' 27' ' ' GLN . 52.0 t80 -57.36 -44.0 83.97 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.791 1.236 . . . . 64.230000000000004 113.108 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -63.47 -32.78 74.32 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 123.455 0.702 . . . . 72.439999999999998 112.541 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.75 -43.38 93.51 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 122.923 0.489 . . . . 75.439999999999998 111.028 174.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.533 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -67.99 -48.92 51.25 Favored Glycine 0 C--N 1.35 1.354 0 CA-C-N 116.307 -0.406 . . . . 75.519999999999996 113.412 177.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.666 HD11 HG11 ' A' ' 66' ' ' VAL . 58.9 tp -65.15 -32.58 74.34 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.834 0.854 . . . . 73.120000000000005 111.482 178.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.79 -31.6 76.14 Favored Glycine 0 N--CA 1.47 0.959 0 CA-C-N 115.304 -0.862 . . . . 54.439999999999998 111.824 175.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.529 ' HA ' ' HB3' ' A' ' 51' ' ' ARG . 20.8 t-105 -74.55 -27.94 60.73 Favored 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 123.279 0.631 . . . . 75.209999999999994 110.721 174.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.556 HD23 HG11 ' A' ' 55' ' ' VAL . 6.6 mp -64.65 -39.09 93.08 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 123.018 0.527 . . . . 75.140000000000001 111.314 171.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.533 HD21 HG23 ' A' ' 57' ' ' THR . 68.5 mt -68.93 -35.39 76.74 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.902 0.481 . . . . 53.43 111.141 172.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.529 ' HB3' ' HA ' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -60.41 -42.13 95.35 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.073 0.949 . . . . 74.349999999999994 110.698 175.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -83.06 -11.51 57.97 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.272 0.629 . . . . 73.319999999999993 112.191 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 70.44 18.84 6.53 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 125.374 1.47 . . . . 74.129999999999995 112.464 -176.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -79.36 -14.93 58.65 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 113.782 1.03 . . . . 72.099999999999994 113.782 -174.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.556 HG11 HD23 ' A' ' 49' ' ' LEU . 32.7 m -132.88 154.2 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 N-CA-C 113.35 0.87 . . . . 72.129999999999995 113.35 -176.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -105.03 129.7 57.29 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 CA-C-N 114.686 -1.143 . . . . 73.430000000000007 109.201 171.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.533 HG23 HD21 ' A' ' 50' ' ' LEU . 15.5 p -101.69 134.21 45.19 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.746 0.784 . . . . 73.510000000000005 111.681 -176.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.3 t -146.01 171.63 14.58 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.199 1.4 . . . . 62.020000000000003 108.405 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -126.86 119.87 27.84 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.76 -0.459 . . . . 63.030000000000001 109.76 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.4 t -104.82 110.5 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.136 0.974 . . . . 75.540000000000006 109.821 178.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 51.37 42.1 28.83 Favored 'General case' 0 CA--C 1.564 1.514 0 C-N-CA 125.518 1.527 . . . . 73.299999999999997 113.677 170.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.18 8.34 61.54 Favored Glycine 0 CA--C 1.537 1.466 0 N-CA-C 115.274 0.869 . . . . 63.109999999999999 115.274 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -136.07 154.47 51.01 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 118.017 0.908 . . . . 53.240000000000002 110.777 176.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 61.6 mt -76.76 130.48 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 122.983 0.513 . . . . 74.519999999999996 110.857 -176.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -128.6 129.53 46.05 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.584 1.153 . . . . 73.120000000000005 109.766 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.666 HG11 HD11 ' A' ' 46' ' ' LEU . 25.7 m -131.6 151.07 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.332 0.653 . . . . 74.140000000000001 112.141 -175.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.669 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 38.6 mtmm -134.96 161.4 35.38 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.793 0.837 . . . . 73.150000000000006 109.671 176.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.0 mt -77.3 136.48 38.48 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 117.768 0.258 . . . . 70.120000000000005 111.514 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 122.012 0.911 . . . . 63.439999999999998 109.668 172.199 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 31.3 mmt . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 114.203 1.186 . . . . 64.540000000000006 114.203 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.65 -26.76 66.38 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.405 1.082 . . . . 73.010000000000005 111.929 -175.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -74.44 -38.46 63.0 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.039 0.447 . . . . 70.420000000000002 110.531 172.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -77.24 -39.18 49.36 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 112.781 0.66 . . . . 73.329999999999998 112.781 -173.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -26.34 68.52 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 118.05 0.387 . . . . 74.129999999999995 111.61 175.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.36 -41.46 84.79 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.516 0.726 . . . . 63.409999999999997 111.475 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.13 -35.44 64.27 Favored Glycine 0 CA--C 1.539 1.581 0 CA-C-N 115.794 -0.639 . . . . 64.310000000000002 114.427 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.27 -46.98 72.07 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 121.236 0.541 . . . . 65.530000000000001 111.307 177.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.439 HD13 ' HB3' ' B' ' 41' ' ' ASP . 88.6 mt -68.94 -30.44 68.89 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.612 0.765 . . . . 74.200000000000003 111.266 176.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.03 81.84 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.646 0.779 . . . . 60.43 111.774 174.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.33 -45.3 92.97 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-N 115.725 -0.671 . . . . 52.119999999999997 112.829 173.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.45 -50.48 63.19 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.731 0.812 . . . . 73.450000000000003 111.643 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.584 HG23 HG21 ' B' ' 30' ' ' ILE . 82.6 mt -60.65 -44.52 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 124.192 0.997 . . . . 75.200000000000003 111.784 -177.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -63.68 -43.39 96.81 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 116.156 -0.474 . . . . 75.439999999999998 111.309 177.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -64.2 -28.39 69.72 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 112.506 0.558 . . . . 65.299999999999997 112.506 177.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.99 89.05 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 121.181 0.515 . . . . 51.399999999999999 110.962 172.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.445 HD21 HD11 ' B' ' 30' ' ' ILE . 79.7 mt -79.48 -24.58 42.24 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.215 1.006 . . . . 75.140000000000001 111.966 177.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -68.21 126.89 30.98 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.005 0.922 . . . . 75.099999999999994 111.22 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.02 10.9 84.17 Favored Glycine 0 CA--C 1.54 1.602 0 CA-C-N 115.919 -0.582 . . . . 64.439999999999998 113.681 -174.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.6 m -126.42 159.33 33.6 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.821 0.848 . . . . 64.209999999999994 111.079 -175.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -66.19 -25.22 66.84 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.767 1.227 . . . . 53.439999999999998 113.076 175.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.47 145.76 6.73 Favored Glycine 0 C--N 1.348 1.21 0 N-CA-C 112.206 -0.358 . . . . 74.319999999999993 112.206 -171.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.45 HD23 ' HB3' ' B' ' 29' ' ' GLN . 4.8 mp -126.49 161.08 28.79 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.102 0.561 . . . . 74.310000000000002 110.523 -177.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 69.8 p -81.03 171.56 14.82 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 116.187 -0.46 . . . . 73.299999999999997 110.484 172.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -47.23 82.42 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 112.324 0.49 . . . . 73.439999999999998 112.324 -176.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -65.72 -41.32 92.43 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.268 0.627 . . . . 74.150000000000006 111.733 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . 0.45 ' HB3' HD23 ' B' ' 25' ' ' LEU . 48.8 mt-30 -58.44 -43.25 88.7 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.261 0.624 . . . . 70.329999999999998 111.902 179.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.584 HG21 HG23 ' B' ' 15' ' ' ILE . 73.9 mt -71.84 -46.45 60.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.245 0.618 . . . . 73.120000000000005 111.28 178.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -56.85 -33.13 66.49 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 123.254 0.622 . . . . 74.340000000000003 111.99 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -70.18 -53.14 18.43 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 123.272 0.629 . . . . 72.340000000000003 111.581 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.57 -48.69 79.8 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.657 0.783 . . . . 73.530000000000001 112.285 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.425 ' OG1' ' HG ' ' B' ' 36' ' ' LEU . 49.9 p -83.53 -12.82 55.73 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 124.329 1.052 . . . . 74.200000000000003 112.171 -179.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.1 38.57 2.64 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 125.246 1.418 . . . . 65.510000000000005 112.588 175.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' B' ' 41' ' ' ASP . 86.9 mt -65.39 148.9 50.9 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.617 0.767 . . . . 70.230000000000004 111.511 175.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -93.3 -50.99 5.2 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.2 0.6 . . . . 73.099999999999994 111.073 -178.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.73 157.91 17.1 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.616 0.766 . . . . 60.229999999999997 111.201 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.49 -32.51 73.98 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 115.336 -0.847 . . . . 61.409999999999997 110.09 165.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -59.66 -36.36 76.27 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.11 0.964 . . . . 73.310000000000002 112.078 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.47 ' HB3' HD22 ' B' ' 36' ' ' LEU . 66.3 m-20 -63.26 -34.92 78.72 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.454 0.702 . . . . 64.310000000000002 110.874 175.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -74.69 -40.08 61.58 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 115.592 -0.731 . . . . 74.329999999999998 111.807 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -66.42 -43.95 84.28 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 122.717 0.407 . . . . 63.32 111.925 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.51 -37.35 74.14 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.215 0.606 . . . . 71.329999999999998 110.714 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . 0.503 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -63.94 -56.62 17.58 Favored Glycine 0 CA--C 1.538 1.499 0 CA-C-N 116.369 -0.378 . . . . 74.239999999999995 113.246 176.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.85 -28.6 69.1 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 123.44 0.696 . . . . 65.219999999999999 110.486 177.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.09 -31.61 81.37 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 115.952 -0.567 . . . . 74.420000000000002 112.233 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' TRP . . . . . 0.481 ' HA ' ' HG3' ' B' ' 51' ' ' ARG . 12.9 t-105 -73.42 -34.34 65.4 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-O 120.924 0.392 . . . . 75.319999999999993 110.278 173.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.594 HD23 HG11 ' B' ' 55' ' ' VAL . 6.5 mp -62.3 -32.79 73.58 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.073 0.549 . . . . 71.150000000000006 111.283 171.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 84.2 mt -71.05 -38.84 72.53 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.322 0.649 . . . . 64.200000000000003 111.888 175.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.481 ' HG3' ' HA ' ' B' ' 48' ' ' TRP . 0.1 OUTLIER -74.39 -21.41 59.66 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.944 -0.473 . . . . 63.140000000000001 111.794 176.341 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -85.22 -16.16 41.18 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.725 0.41 . . . . 73.140000000000001 111.102 170.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 27.8 t70 67.5 22.49 9.26 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 125.246 1.418 . . . . 72.329999999999998 111.579 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -88.14 -6.85 57.65 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.118 0.784 . . . . 73.409999999999997 113.118 -176.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.594 HG11 HD23 ' B' ' 49' ' ' LEU . 33.4 m -134.18 161.7 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 CA-C-O 122.066 0.936 . . . . 75.25 112.969 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -129.63 130.34 66.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 113.937 -1.483 . . . . 65.120000000000005 108.466 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . 0.67 HG22 HG12 ' B' ' 66' ' ' VAL . 76.2 p -105.01 132.05 51.75 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.498 0.719 . . . . 72.120000000000005 110.246 -170.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 50.3 p -139.42 163.75 31.7 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.085 0.954 . . . . 63.420000000000002 109.881 -175.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -109.65 119.31 39.01 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.614 0.366 . . . . 75.409999999999997 110.953 -176.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 73.6 t -110.1 109.33 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 108.803 -0.814 . . . . 74.549999999999997 108.803 169.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 54.45 50.88 15.18 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 125.029 1.332 . . . . 72.209999999999994 113.067 175.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.14 7.62 86.81 Favored Glycine 0 CA--C 1.54 1.615 0 N-CA-C 115.195 0.838 . . . . 64.239999999999995 115.195 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -122.66 156.9 33.4 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 117.841 0.82 . . . . 75.239999999999995 111.819 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 57.9 mt -80.99 116.26 24.99 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.066 0 CA-C-N 115.608 -0.724 . . . . 64.319999999999993 110.781 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -116.19 103.82 10.91 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.029 1.332 . . . . 75.219999999999999 108.693 177.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.67 HG12 HG22 ' B' ' 57' ' ' THR . 19.0 m -98.42 146.52 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 122.742 0.417 . . . . 72.209999999999994 110.23 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -153.96 154.85 34.54 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.963 0.505 . . . . 73.209999999999994 110.033 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.53 HD23 HG12 ' B' ' 55' ' ' VAL . 61.6 mt -68.56 150.13 48.39 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 118.048 0.386 . . . . 61.100000000000001 111.984 -176.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.484 1.243 0 CA-C-O 121.958 0.885 . . . . 61.0 109.626 175.106 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.9 mt . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 112.006 0.373 . . . . 74.329999999999998 112.006 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -65.15 -34.1 77.58 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 123.544 0.738 . . . . 74.239999999999995 111.008 173.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -68.91 -51.31 41.31 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.571 0.748 . . . . 72.140000000000001 111.175 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -22.54 62.87 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 112.277 0.473 . . . . 71.109999999999999 112.277 -175.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.68 -36.87 82.12 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.811 0.445 . . . . 74.140000000000001 110.689 169.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.11 -32.07 72.57 Favored Glycine 0 CA--C 1.538 1.519 0 CA-C-N 115.308 -0.86 . . . . 73.310000000000002 113.958 172.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.59 -45.42 75.57 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 122.986 0.515 . . . . 71.109999999999999 111.443 174.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.06 -39.47 89.99 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.534 0.734 . . . . 72.400000000000006 110.71 173.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.548 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -59.5 -43.12 93.42 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.848 0.859 . . . . 72.439999999999998 112.367 174.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.471 ' O ' ' HG2' ' A' ' 17' ' ' GLU . . . -57.19 -53.87 41.39 Favored Glycine 0 C--N 1.344 1.013 0 CA-C-N 115.069 -0.969 . . . . 64.349999999999994 113.771 -178.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -65.35 -32.81 74.65 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.401 0.519 . . . . 72.340000000000003 112.401 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.521 HG23 HG21 ' A' ' 30' ' ' ILE . 87.5 mt -68.14 -44.42 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 123.037 0.535 . . . . 73.230000000000004 111.053 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.455 ' NE1' ' HG2' ' A' ' 54' ' ' LYS . 51.9 t90 -66.49 -43.24 85.91 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 119.7 -0.191 . . . . 73.430000000000007 110.892 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 13' ' ' GLY . 44.4 mm-40 -64.83 -31.4 72.61 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 117.813 0.279 . . . . 71.349999999999994 111.203 178.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.66 -29.46 66.91 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.229 0.612 . . . . 75.329999999999998 111.694 173.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.5 mt -91.75 -10.94 38.22 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.664 0.786 . . . . 64.310000000000002 112.725 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -69.97 125.27 26.25 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 121.983 -0.448 . . . . 63.130000000000003 109.948 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.93 3.73 85.26 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-N 116.238 -0.437 . . . . 53.43 113.234 -174.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.9 p -112.39 152.73 28.29 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.473 0.709 . . . . 73.430000000000007 109.832 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -83.48 -7.27 59.57 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.009 0.524 . . . . 75.120000000000005 112.314 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.53 126.63 3.21 Favored Glycine 0 C--N 1.354 1.537 0 C-N-CA 123.014 0.34 . . . . 61.299999999999997 113.475 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mp -124.66 171.39 10.1 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.794 0.838 . . . . 72.129999999999995 110.804 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 65' ' ' PHE . 42.7 p -85.68 168.19 14.61 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.693 0.397 . . . . 65.319999999999993 110.478 176.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.442 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -65.43 -37.24 86.34 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 113.266 0.839 . . . . 75.420000000000002 113.266 -166.011 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -70.54 -32.31 69.69 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.714 0.806 . . . . 71.510000000000005 111.863 177.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.417 ' NE2' ' H ' ' A' ' 26' ' ' THR . 49.5 mt-30 -67.9 -41.33 82.85 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.257 0.623 . . . . 74.010000000000005 111.318 176.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.521 HG21 HG23 ' A' ' 15' ' ' ILE . 21.9 mt -67.67 -39.01 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 C-N-CA 122.879 0.472 . . . . 73.109999999999999 110.291 176.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -58.17 -32.71 68.49 Favored 'General case' 0 CA--C 1.559 1.327 0 C-N-CA 124.57 1.148 . . . . 75.519999999999996 111.333 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -66.5 -53.93 29.61 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.637 0.775 . . . . 74.329999999999998 111.299 169.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.66 -34.9 71.75 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.94 0.896 . . . . 60.030000000000001 112.568 -174.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.2 p -94.92 -18.55 21.02 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.274 1.029 . . . . 63.130000000000003 112.373 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 63.51 25.31 14.39 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 124.487 1.115 . . . . 70.409999999999997 112.613 -177.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.88 119.96 12.22 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.08 0.552 . . . . 74.230000000000004 110.306 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -71.71 -32.37 67.73 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 112.581 0.585 . . . . 74.140000000000001 112.581 -170.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.62 143.69 44.99 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 121.446 0.641 . . . . 71.549999999999997 110.681 173.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -66.85 -24.62 66.17 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.761 0.824 . . . . 53.539999999999999 110.662 170.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -61.27 -45.29 95.13 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.408 1.083 . . . . 74.439999999999998 113.023 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -75.74 -28.12 58.38 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.041 0.448 . . . . 55.520000000000003 110.771 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.442 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 81.6 t80 -58.97 -39.89 83.13 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.497 0.719 . . . . 60.350000000000001 111.165 167.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.56 ' HE2' ' HD2' ' B' ' 40' ' ' LYS . 22.0 m-85 -65.94 -32.95 74.74 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 122.758 0.423 . . . . 74.230000000000004 111.961 177.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -68.21 -39.25 82.44 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.994 0.517 . . . . 73.129999999999995 110.933 173.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.413 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -71.19 -62.13 3.65 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 116.337 -0.392 . . . . 54.210000000000001 113.38 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.459 HD11 HG11 ' A' ' 66' ' ' VAL . 58.0 tp -56.66 -34.2 67.12 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 124.364 1.066 . . . . 73.200000000000003 112.339 175.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.9 -32.48 82.85 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 116.122 -0.49 . . . . 54.210000000000001 112.458 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.548 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 38.1 t-105 -75.83 -24.32 55.81 Favored 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 123.16 0.584 . . . . 75.109999999999999 110.985 172.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.613 HD23 HG11 ' A' ' 55' ' ' VAL . 6.6 mp -67.42 -30.47 70.24 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.879 -0.513 . . . . 34.43 111.136 169.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.549 HD21 HG23 ' A' ' 57' ' ' THR . 89.7 mt -75.37 -33.98 61.09 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.63 0.772 . . . . 72.409999999999997 111.252 171.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.494 ' HG2' ' HA ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -55.75 -45.85 77.95 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.245 1.018 . . . . 72.200000000000003 109.922 170.447 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -77.37 -22.44 51.7 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 123.881 0.872 . . . . 72.329999999999998 111.18 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.0 t70 62.7 22.1 13.14 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.746 1.219 . . . . 73.420000000000002 110.727 -173.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.455 ' HG2' ' NE1' ' A' ' 16' ' ' TRP . 23.3 ttpp -88.93 1.96 54.59 Favored 'General case' 0 CA--C 1.565 1.552 0 C-N-CA 125.075 1.35 . . . . 44.439999999999998 112.199 -174.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.613 HG11 HD23 ' A' ' 49' ' ' LEU . 33.6 m -134.07 169.07 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 CA-C-O 121.444 0.64 . . . . 62.420000000000002 111.814 169.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.4 t -117.13 130.53 71.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 C-N-CA 124.897 1.279 . . . . 74.430000000000007 109.668 172.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.549 HG23 HD21 ' A' ' 50' ' ' LEU . 21.2 p -103.43 133.53 48.33 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.395 0.678 . . . . 73.030000000000001 110.864 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.0 t -144.27 169.75 17.3 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.256 1.022 . . . . 42.32 110.293 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.457 ' HB2' HD11 ' B' ' 4' ' ' LEU . 32.2 tt0 -114.31 114.78 26.39 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.97 0.908 . . . . 73.310000000000002 109.937 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.612 HG12 ' HG2' ' A' ' 61' ' ' GLU . 76.1 t -131.71 127.91 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 123.477 0.711 . . . . 64.239999999999995 109.648 174.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.612 ' HG2' HG12 ' A' ' 60' ' ' VAL . 10.8 mm-40 62.73 31.33 16.66 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.164 1.386 . . . . 72.510000000000005 112.46 176.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 73.05 20.53 80.0 Favored Glycine 0 C--N 1.354 1.575 0 CA-C-N 116.256 -0.429 . . . . 34.049999999999997 114.007 -178.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -136.37 162.87 31.84 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.127 0.571 . . . . 75.549999999999997 111.357 -177.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.407 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 56.0 mt -72.23 104.75 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.117 0 C-N-CA 123.574 0.75 . . . . 73.439999999999998 110.553 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.433 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 86.0 t80 -100.73 121.27 41.38 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.716 0.806 . . . . 74.030000000000001 109.377 173.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.459 HG11 HD11 ' A' ' 46' ' ' LEU . 22.7 m -124.66 156.93 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-O 121.563 0.697 . . . . 61.100000000000001 111.695 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -143.81 159.44 42.52 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 114.713 -1.13 . . . . 63.439999999999998 108.812 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.0 mt -73.92 158.8 33.77 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 118.201 0.455 . . . . 72.129999999999995 110.808 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 51.2 t . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 108.29 -1.004 . . . . 63.329999999999998 108.29 168.205 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . 0.652 ' HB2' ' HG2' ' B' ' 6' ' ' GLU . 89.6 mmm . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.396 -0.224 . . . . 74.120000000000005 110.396 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.466 ' HB2' ' HB ' ' A' ' 57' ' ' THR . 8.3 mp -68.12 -17.88 64.48 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 122.975 0.51 . . . . 55.409999999999997 111.276 176.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -65.4 -43.51 90.38 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.075 0.95 . . . . 74.540000000000006 110.617 169.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.652 ' HG2' ' HB2' ' B' ' 3' ' ' MET . 11.3 mm-40 -74.76 -27.73 60.46 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 115.552 -0.749 . . . . 73.219999999999999 111.474 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.501 ' HZ3' HD21 ' B' ' 11' ' ' LEU . 5.9 tmtt? -62.26 -50.9 69.85 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 123.995 0.918 . . . . 73.430000000000007 109.109 174.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.11 -43.33 95.7 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.15 0.98 . . . . 64.450000000000003 112.052 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.31 -35.79 90.78 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 115.871 -0.604 . . . . 61.520000000000003 114.308 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.44 -32.3 71.17 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.371 0.669 . . . . 55.420000000000002 112.222 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.501 HD21 ' HZ3' ' B' ' 7' ' ' LYS . 89.8 mt -76.6 -28.21 56.08 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.153 0.581 . . . . 75.439999999999998 111.584 175.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.89 -55.7 29.47 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.054 1.131 . . . . 74.230000000000004 114.054 -174.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.4 -50.75 63.72 Favored Glycine 0 CA--C 1.537 1.449 0 N-CA-C 114.541 0.576 . . . . 71.040000000000006 114.541 -176.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -65.03 -36.95 86.0 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.679 0.792 . . . . 63.340000000000003 112.997 -178.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.9 -44.74 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 C-N-CA 122.805 0.442 . . . . 74.400000000000006 110.471 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -54.7 -45.27 73.98 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.743 0.817 . . . . 75.129999999999995 111.094 175.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.02 -25.93 66.53 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.921 0.888 . . . . 74.239999999999995 112.291 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.63 -40.21 76.67 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.791 0.436 . . . . 63.310000000000002 111.282 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.449 HD21 HG13 ' B' ' 66' ' ' VAL . 9.0 mp -79.37 -17.99 53.32 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.417 0.687 . . . . 52.130000000000003 112.121 176.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -67.28 127.09 31.34 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.725 0.41 . . . . 54.509999999999998 110.661 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.0 -18.33 46.53 Favored Glycine 0 CA--C 1.538 1.473 0 CA-C-N 116.174 -0.466 . . . . 75.439999999999998 112.672 -173.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 24.4 p -112.63 170.96 7.82 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.589 0.756 . . . . 71.209999999999994 110.249 174.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -107.29 21.4 17.57 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 122.864 0.466 . . . . 75.439999999999998 110.708 174.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.8 142.34 3.7 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 114.072 177.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 94.4 mt -137.74 160.8 38.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.443 1.097 . . . . 71.239999999999995 110.15 174.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.446 ' H ' ' NE2' ' B' ' 29' ' ' GLN . 70.6 p -102.6 162.86 12.58 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.267 0.627 . . . . 64.109999999999999 110.509 173.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -59.77 -30.71 69.07 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 113.611 0.967 . . . . 72.319999999999993 113.611 -170.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -66.23 -41.49 89.98 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.061 0.944 . . . . 64.0 111.851 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . 0.446 ' NE2' ' H ' ' B' ' 26' ' ' THR . 49.3 mt-30 -67.8 -41.66 82.8 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.493 0.717 . . . . 53.229999999999997 111.18 178.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 23.7 mt -72.88 -33.84 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 115.556 -0.747 . . . . 64.239999999999995 111.072 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -56.56 -47.34 79.68 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.406 1.083 . . . . 75.209999999999994 111.038 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -70.8 -38.84 73.34 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.559 0.744 . . . . 64.329999999999998 112.665 175.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.66 -51.46 62.46 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.243 0.617 . . . . 71.0 112.365 -176.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 70.7 p -87.08 -16.84 34.37 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.963 0.905 . . . . 72.129999999999995 111.997 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm 60.3 31.97 20.59 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 124.432 1.093 . . . . 74.409999999999997 113.035 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.65 152.34 31.04 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.386 0.675 . . . . 61.43 111.668 176.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -69.57 -41.43 75.84 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.042 0.537 . . . . 72.450000000000003 112.074 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.05 161.63 36.91 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.584 0.707 . . . . 43.020000000000003 112.082 -177.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -71.33 -26.05 62.66 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 115.085 -0.961 . . . . 72.409999999999997 110.797 170.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.56 ' HD2' ' HE2' ' A' ' 43' ' ' PHE . 34.2 mmtp -59.84 -45.44 92.4 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.337 1.055 . . . . 70.329999999999998 113.328 -178.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -75.87 -33.87 59.99 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.554 0.342 . . . . 61.509999999999998 110.342 177.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -54.66 -38.48 66.99 Favored 'General case' 0 CA--C 1.564 1.482 0 C-N-CA 123.693 0.797 . . . . 72.430000000000007 112.071 171.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -62.42 -34.69 77.25 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 122.844 0.457 . . . . 64.140000000000001 112.11 177.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.43 -36.04 71.14 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.383 0.673 . . . . 70.409999999999997 110.619 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . 0.445 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -66.22 -55.62 17.83 Favored Glycine 0 CA--C 1.538 1.515 0 CA-C-N 116.194 -0.457 . . . . 74.430000000000007 113.305 178.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.24 -28.66 68.9 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.319 0.647 . . . . 73.219999999999999 110.416 178.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.99 -37.8 94.7 Favored Glycine 0 C--N 1.347 1.184 0 CA-C-N 115.665 -0.698 . . . . 70.099999999999994 111.705 176.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' TRP . . . . . 0.54 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 33.1 t-105 -69.35 -29.49 67.31 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 122.777 0.431 . . . . 63.25 110.761 175.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.465 HD23 HG11 ' B' ' 55' ' ' VAL . 5.3 mp -64.41 -33.22 75.37 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 122.999 0.519 . . . . 71.420000000000002 111.492 171.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.0 mt -69.5 -35.47 75.56 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.56 0.744 . . . . 75.310000000000002 112.281 175.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' B' ' 48' ' ' TRP . 1.6 ppt_? -71.73 -29.35 64.44 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 118.172 0.442 . . . . 74.239999999999995 110.662 177.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -81.69 -12.3 58.7 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.94 0.896 . . . . 61.219999999999999 111.882 175.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 64.18 18.74 11.44 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 125.127 1.371 . . . . 73.409999999999997 112.249 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -86.38 -2.22 58.23 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.838 0.681 . . . . 72.040000000000006 112.838 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.604 ' HA ' ' H ' ' B' ' 69' ' ' VAL . 33.3 m -138.67 167.03 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 CA-C-O 121.908 0.861 . . . . 51.25 112.427 176.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 p -144.95 143.69 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 CA-C-N 114.132 -1.394 . . . . 55.299999999999997 109.137 171.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 73.7 p -109.27 149.47 29.39 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.394 0.677 . . . . 53.219999999999999 111.488 -170.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 66.7 m -146.84 170.53 16.85 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.495 1.118 . . . . 53.039999999999999 110.161 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -117.36 107.04 13.88 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.436 -0.579 . . . . 75.400000000000006 109.436 172.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 42.1 t -115.74 116.33 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 123.593 0.757 . . . . 75.200000000000003 109.571 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 58.51 31.46 21.03 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.614 1.166 . . . . 72.219999999999999 112.804 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.05 8.9 87.23 Favored Glycine 0 CA--C 1.542 1.765 0 N-CA-C 114.562 0.585 . . . . 62.329999999999998 114.562 -176.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -103.23 144.08 31.8 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.07 0.948 . . . . 73.049999999999997 111.702 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 54.3 mt -72.1 101.14 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-O 121.12 0.486 . . . . 72.519999999999996 109.715 170.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -103.26 101.68 11.62 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 123.941 0.896 . . . . 64.25 110.315 -174.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.449 HG13 HD21 ' B' ' 19' ' ' LEU . 7.4 p -106.17 138.81 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 123.721 0.808 . . . . 63.530000000000001 110.088 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.09 149.46 35.1 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 112.236 0.458 . . . . 75.310000000000002 112.236 -173.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.439 HD23 HG12 ' B' ' 55' ' ' VAL . 42.7 mt -71.06 78.08 0.67 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.557 0.743 . . . . 72.150000000000006 112.251 -175.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.604 ' H ' ' HA ' ' B' ' 55' ' ' VAL . 13.6 p . . . . . 0 N--CA 1.497 1.908 0 C-N-CA 126.442 1.897 . . . . 65.25 113.223 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.401 HD22 ' HD2' ' A' ' 7' ' ' LYS . 2.1 tm? . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 121.162 0.506 . . . . 62.340000000000003 109.967 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -67.71 -36.76 81.2 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.548 0.739 . . . . 74.239999999999995 111.416 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -68.49 -42.5 78.54 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.763 0.653 . . . . 72.420000000000002 112.763 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -66.99 -41.83 86.07 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 117.58 0.173 . . . . 72.200000000000003 111.347 177.794 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.78 87.01 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.34 0.656 . . . . 75.030000000000001 111.181 177.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.44 -38.09 79.65 Favored Glycine 0 CA--C 1.536 1.395 0 CA-C-N 115.081 -0.963 . . . . 74.230000000000004 113.795 175.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.37 -51.4 60.69 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.619 0.768 . . . . 34.439999999999998 111.713 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 67.2 mt -61.01 -32.94 72.52 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.984 0.914 . . . . 63.210000000000001 111.216 178.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -60.29 -40.72 91.47 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.778 0.831 . . . . 52.210000000000001 113.152 177.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.83 -49.85 74.08 Favored Glycine 0 CA--C 1.535 1.334 0 CA-C-N 115.944 -0.571 . . . . 71.230000000000004 114.339 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -68.6 -36.79 79.17 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.153 0.581 . . . . 72.420000000000002 112.11 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.565 HG23 HG21 ' A' ' 30' ' ' ILE . 74.9 mt -64.65 -44.86 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 C-N-CA 123.077 0.551 . . . . 42.409999999999997 111.391 178.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -61.53 -45.91 92.21 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.017 0.527 . . . . 75.400000000000006 111.465 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -65.15 -39.46 93.02 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 123.808 0.843 . . . . 64.219999999999999 110.795 -176.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.33 -33.32 75.69 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.384 0.674 . . . . 73.420000000000002 111.974 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.0 mt -85.67 -15.37 42.56 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.887 0.875 . . . . 70.010000000000005 112.281 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -66.76 119.22 11.45 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 122.738 0.415 . . . . 55.240000000000002 111.554 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.45 12.29 83.94 Favored Glycine 0 CA--C 1.54 1.635 0 CA-C-N 115.827 -0.624 . . . . 70.129999999999995 113.864 -173.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.605 HG22 ' H ' ' A' ' 24' ' ' GLY . 15.1 m -106.33 147.11 29.58 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.583 0.753 . . . . 54.539999999999999 110.459 178.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.24 -33.38 70.95 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 123.6 0.76 . . . . 73.409999999999997 111.997 174.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.605 ' H ' HG22 ' A' ' 22' ' ' THR . . . 140.97 141.98 4.07 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-N 115.276 -0.875 . . . . 63.240000000000002 110.928 -174.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 95.2 mt -129.04 151.64 49.51 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 117.704 0.752 . . . . 73.120000000000005 110.434 -178.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.0 p -74.2 164.15 26.97 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 110.3 -0.259 . . . . 70.219999999999999 110.3 173.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.482 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 20.3 pt20 -54.07 -33.49 57.66 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.206 0.603 . . . . 73.010000000000005 112.349 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 53.6 mtpt -69.04 -47.23 65.91 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.001 0.921 . . . . 71.25 112.204 174.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.463 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 86.6 mm-40 -65.04 -41.39 95.25 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.662 0.785 . . . . 64.319999999999993 112.83 -176.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.565 HG21 HG23 ' A' ' 15' ' ' ILE . 70.2 mt -60.82 -47.18 94.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.252 0.621 . . . . 64.340000000000003 111.453 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 27' ' ' GLN . 32.5 mtmm -62.35 -26.55 68.51 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 112.998 0.74 . . . . 73.349999999999994 112.998 -176.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -69.79 -50.48 42.62 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-O 120.481 0.181 . . . . 71.239999999999995 110.53 173.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.43 -33.12 75.21 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.47 0.708 . . . . 62.140000000000001 112.708 -177.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.4 p -88.74 -18.71 27.23 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.266 1.026 . . . . 73.010000000000005 112.168 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm 69.16 35.89 2.57 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 125.184 1.394 . . . . 74.030000000000001 111.448 -177.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt -71.95 160.59 32.26 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.387 0.675 . . . . 71.420000000000002 111.687 171.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -89.34 -52.6 4.96 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.418 0.687 . . . . 73.040000000000006 111.972 -176.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.88 163.54 32.37 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.438 0.695 . . . . 54.340000000000003 111.393 -170.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -64.08 -27.31 69.01 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 116.077 -0.51 . . . . 72.150000000000006 111.419 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -53.66 -50.79 65.02 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.428 1.091 . . . . 70.329999999999998 113.138 177.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -74.45 -29.98 61.7 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.778 0.431 . . . . 63.32 111.092 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -59.53 -39.2 83.12 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.895 0.478 . . . . 74.219999999999999 111.956 172.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -63.37 -31.83 73.1 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 123.123 0.569 . . . . 71.329999999999998 112.021 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -74.16 -40.9 62.26 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.248 0.619 . . . . 74.329999999999998 111.339 174.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.426 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -65.36 -58.38 9.6 Favored Glycine 0 C--N 1.352 1.419 0 O-C-N 123.14 0.275 . . . . 64.120000000000005 113.202 176.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.0 tp -57.9 -35.59 71.25 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.121 0.968 . . . . 65.420000000000002 112.155 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.38 -31.73 81.84 Favored Glycine 0 N--CA 1.477 1.407 0 CA-C-O 121.362 0.423 . . . . 73.510000000000005 112.298 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.488 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 39.0 t-105 -71.9 -40.28 68.98 Favored 'General case' 0 CA--C 1.558 1.267 0 CA-C-N 115.204 -0.498 . . . . 64.219999999999999 110.242 171.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.69 HD23 HG11 ' A' ' 55' ' ' VAL . 6.4 mp -58.03 -31.0 66.58 Favored 'General case' 0 N--CA 1.499 1.985 0 C-N-CA 123.33 0.652 . . . . 71.310000000000002 111.978 174.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.0 mt -67.59 -44.95 76.92 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.231 0.612 . . . . 74.329999999999998 111.324 174.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HG3' ' HA ' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -73.66 -18.54 61.01 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 111.914 0.338 . . . . 61.240000000000002 111.914 177.144 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -83.71 -17.98 39.48 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.851 0.86 . . . . 72.310000000000002 111.201 174.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 63.72 17.73 10.65 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 125.022 1.329 . . . . 72.140000000000001 112.672 176.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -99.53 9.41 43.26 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.671 0.788 . . . . 62.25 112.37 -173.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.69 HG11 HD23 ' A' ' 49' ' ' LEU . 29.4 m -134.74 161.7 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 N-CA-C 113.409 0.892 . . . . 72.219999999999999 113.409 174.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.1 p -143.13 132.75 21.34 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 CA-C-N 114.153 -1.385 . . . . 73.450000000000003 109.508 167.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 60.1 p -110.06 131.19 55.28 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 121.06 0.457 . . . . 73.540000000000006 111.251 -169.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.532 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 14.9 m -85.9 143.97 27.92 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.23 1.012 . . . . 71.230000000000004 109.723 173.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -96.55 103.05 14.93 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 109.237 -0.653 . . . . 64.239999999999995 109.237 174.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.6 t -109.64 105.01 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 116.006 -0.543 . . . . 64.450000000000003 109.571 178.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 42.4 45.52 3.79 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 125.41 1.484 . . . . 74.519999999999996 114.51 177.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.3 8.39 83.6 Favored Glycine 0 CA--C 1.542 1.741 0 N-CA-C 115.065 0.786 . . . . 45.299999999999997 115.065 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -113.68 145.22 41.66 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.312 1.045 . . . . 71.120000000000005 111.138 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.3 mt -82.3 124.42 39.22 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 123.54 0.736 . . . . 73.439999999999998 109.986 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.532 ' HB3' ' HB2' ' A' ' 58' ' ' SER . 73.6 t80 -119.22 103.36 9.44 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.031 0.932 . . . . 75.329999999999998 108.953 176.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.1 t -94.33 131.61 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 O-C-N 121.571 -0.706 . . . . 60.219999999999999 111.496 -168.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -123.98 148.51 46.89 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.512 0.725 . . . . 74.310000000000002 109.068 175.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.446 HD23 HG12 ' A' ' 55' ' ' VAL . 38.8 mt -85.0 141.02 30.61 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 118.096 0.407 . . . . 60.109999999999999 111.304 175.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 CA--C 1.551 0.987 0 C-N-CA 123.155 0.582 . . . . 75.209999999999994 109.451 167.305 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . 0.478 ' HG3' ' H ' ' B' ' 5' ' ' LYS . 11.5 tpt . . . . . 0 CA--C 1.554 1.123 0 CA-C-O 121.249 0.547 . . . . 63.109999999999999 112.069 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 mp -56.89 -43.06 80.94 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.768 0.827 . . . . 70.420000000000002 110.938 172.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.514 ' HZ3' ' HH2' ' B' ' 48' ' ' TRP . 24.5 ttmm -56.47 -44.84 80.98 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.123 0.969 . . . . 74.150000000000006 112.138 171.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -57.86 -55.91 28.81 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.036 0.934 . . . . 73.409999999999997 111.886 -175.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -34.19 77.65 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.087 -0.506 . . . . 71.140000000000001 111.828 177.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.08 92.41 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 123.908 0.883 . . . . 61.109999999999999 112.472 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.54 -39.58 90.96 Favored Glycine 0 CA--C 1.534 1.268 0 CA-C-N 116.06 -0.518 . . . . 34.25 113.567 177.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.1 75.17 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.341 0.657 . . . . 34.020000000000003 111.769 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.48 ' HA ' HE21 ' B' ' 14' ' ' GLN . 69.7 mt -74.85 -31.85 61.74 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.786 0.835 . . . . 63.450000000000003 111.753 175.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.44 -53.46 50.96 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.768 0.827 . . . . 53.210000000000001 113.018 -177.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.83 -31.49 76.05 Favored Glycine 0 CA--C 1.54 1.618 0 CA-C-N 115.752 -0.658 . . . . 64.5 114.309 176.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.48 HE21 ' HA ' ' B' ' 11' ' ' LEU . 42.2 mt-30 -74.14 -49.62 22.95 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.441 0.697 . . . . 75.510000000000005 112.018 -178.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.13 -38.01 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 C-N-CA 123.368 0.667 . . . . 75.129999999999995 110.264 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -58.65 -48.3 81.52 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.91 0.884 . . . . 75.040000000000006 110.653 173.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.77 -39.2 87.91 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.224 1.01 . . . . 72.019999999999996 111.786 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.89 -33.39 75.6 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.302 0.641 . . . . 71.329999999999998 111.809 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 90.6 mt -86.5 -20.16 28.47 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.802 0.841 . . . . 62.310000000000002 112.473 177.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -68.19 119.62 13.05 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.637 0.375 . . . . 52.210000000000001 110.83 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.99 7.37 70.56 Favored Glycine 0 CA--C 1.538 1.494 0 N-CA-C 114.617 0.607 . . . . 72.209999999999994 114.617 -177.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 53.8 p -117.33 165.2 13.76 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.412 0.685 . . . . 72.430000000000007 110.815 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -84.59 -10.28 57.53 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.398 0.679 . . . . 73.540000000000006 110.572 173.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.02 145.6 4.7 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 115.936 -0.575 . . . . 54.210000000000001 112.281 -176.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 90.7 mt -133.34 159.4 40.38 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.456 0.702 . . . . 73.340000000000003 110.735 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 42.5 p -84.83 161.6 19.87 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.253 0.621 . . . . 75.230000000000004 110.809 174.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -54.13 -37.79 64.74 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.556 0.742 . . . . 64.329999999999998 112.789 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -60.32 -52.61 64.54 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.742 0.817 . . . . 72.530000000000001 112.294 174.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -70.73 -31.93 68.94 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 112.854 0.686 . . . . 74.549999999999997 112.854 -172.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.73 -41.84 93.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.137 0.575 . . . . 72.019999999999996 111.286 176.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -59.63 -31.41 69.48 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 112.434 0.531 . . . . 62.329999999999998 112.434 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.55 -52.02 55.53 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 109.434 -0.58 . . . . 74.510000000000005 109.434 176.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.02 -29.34 66.37 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.991 0.737 . . . . 71.209999999999994 112.991 -175.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 69.9 p -83.45 -17.86 40.63 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.637 0.775 . . . . 52.200000000000003 112.795 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? 72.89 39.33 0.66 Allowed 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 124.758 1.223 . . . . 74.219999999999999 109.011 -174.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 93.9 mt -103.44 -177.97 3.53 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.492 1.117 . . . . 71.209999999999994 110.784 167.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -148.92 -28.02 0.29 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.674 0.79 . . . . 73.219999999999999 111.304 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.26 130.87 45.58 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.706 0.802 . . . . 74.140000000000001 111.191 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.18 -22.99 65.25 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.794 0.837 . . . . 54.409999999999997 111.68 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -50.67 -54.52 22.34 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.914 1.285 . . . . 73.25 113.071 174.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.38 -33.06 73.58 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.532 0.733 . . . . 73.430000000000007 110.744 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -62.34 -41.74 98.82 Favored 'General case' 0 CA--C 1.562 1.409 0 CA-C-N 115.431 -0.804 . . . . 71.219999999999999 112.07 175.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -65.31 -40.44 93.77 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 122.722 0.409 . . . . 74.030000000000001 111.814 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -74.09 -28.71 61.5 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 122.97 0.508 . . . . 71.010000000000005 111.697 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . 0.496 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -72.63 -63.43 2.89 Favored Glycine 0 C--N 1.353 1.514 0 N-CA-C 112.771 -0.132 . . . . 54.039999999999999 112.771 173.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 50.2 tp -53.02 -43.6 66.68 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.94 1.296 . . . . 71.200000000000003 113.044 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.99 -30.97 79.43 Favored Glycine 0 N--CA 1.476 1.343 0 CA-C-N 115.87 -0.605 . . . . 64.329999999999998 113.101 -176.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' TRP . . . . . 0.514 ' HH2' ' HZ3' ' B' ' 5' ' ' LYS . 32.1 t-105 -69.12 -33.66 73.82 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 123.563 0.745 . . . . 73.329999999999998 111.08 175.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.496 HD13 ' O ' ' B' ' 45' ' ' GLY . 3.7 mp -68.25 -29.06 67.78 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.706 0.803 . . . . 73.239999999999995 111.536 177.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.589 HD21 HG23 ' B' ' 57' ' ' THR . 96.6 mt -65.09 -34.95 79.64 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.721 0.809 . . . . 54.020000000000003 111.999 175.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' B' ' 48' ' ' TRP . 7.2 ptt180 -65.85 -34.53 78.36 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.191 0.52 . . . . 64.209999999999994 111.582 179.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -92.87 -8.3 43.81 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.738 0.815 . . . . 74.549999999999997 111.688 178.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 62.23 31.45 17.56 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 124.491 1.117 . . . . 75.530000000000001 112.344 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.437 ' HE3' ' HG ' ' B' ' 49' ' ' LEU . 48.0 mtmt -79.91 -16.89 54.39 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.602 0.761 . . . . 63.130000000000003 111.294 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.517 HG12 HD23 ' B' ' 68' ' ' LEU . 33.7 m -134.74 164.11 34.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 123.761 0.824 . . . . 74.209999999999994 111.298 179.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.2 p -133.32 133.87 57.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-N 115.004 -0.998 . . . . 63.299999999999997 109.549 173.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . 0.658 ' HA ' HG12 ' B' ' 66' ' ' VAL . 60.9 p -104.4 143.79 32.52 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.94 0.896 . . . . 72.420000000000002 111.474 -169.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 34.3 t -146.35 166.6 25.83 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.523 0.729 . . . . 64.439999999999998 110.693 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -112.99 104.97 12.93 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.912 0.885 . . . . 64.439999999999998 109.887 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 48.5 t -121.54 122.44 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 123.543 0.737 . . . . 75.040000000000006 111.202 -176.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 51.64 37.12 19.1 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.336 1.454 . . . . 71.420000000000002 113.867 172.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.61 -3.88 68.73 Favored Glycine 0 CA--C 1.536 1.392 0 N-CA-C 115.34 0.896 . . . . 44.140000000000001 115.34 174.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -138.68 174.35 10.62 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.38 1.09 . . . . 70.530000000000001 112.38 177.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 55.0 mt -79.56 122.42 34.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 C-N-CA 123.602 0.761 . . . . 74.549999999999997 111.346 -173.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -121.25 118.97 30.93 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.339 1.056 . . . . 62.409999999999997 109.008 177.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.658 HG12 ' HA ' ' B' ' 57' ' ' THR . 32.6 m -130.84 160.93 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.739 0.816 . . . . 75.519999999999996 111.424 -170.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.63 162.93 40.52 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 122.737 0.415 . . . . 42.399999999999999 110.821 177.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.517 HD23 HG12 ' B' ' 55' ' ' VAL . 63.5 mt -69.22 135.73 50.98 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.744 0.418 . . . . 61.149999999999999 111.414 178.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 CA--C 1.548 0.869 0 N-CA-C 109.825 -0.435 . . . . 72.209999999999994 109.825 171.019 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.494 1.766 0 N-CA-C 113.075 0.769 . . . . 72.420000000000002 113.075 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -60.99 -41.33 96.26 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.625 0.77 . . . . 74.030000000000001 111.308 168.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -68.21 -38.38 81.88 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 124.166 0.987 . . . . 73.040000000000006 111.599 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.487 ' HZ3' HD21 ' A' ' 11' ' ' LEU . 10.4 tmtt? -66.3 -50.45 63.61 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.668 0.787 . . . . 54.399999999999999 109.823 178.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.37 -34.03 74.63 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.853 0.861 . . . . 64.219999999999999 111.952 175.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.29 -32.57 76.16 Favored Glycine 0 CA--C 1.543 1.831 0 CA-C-N 116.067 -0.515 . . . . 61.229999999999997 114.36 174.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.37 -38.93 71.53 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.226 0.61 . . . . 65.200000000000003 111.136 174.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.487 HD21 ' HZ3' ' A' ' 7' ' ' LYS . 74.3 mt -64.29 -36.28 83.59 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.235 -0.893 . . . . 75.409999999999997 110.942 172.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -63.57 -46.6 85.16 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.454 0.701 . . . . 73.409999999999997 112.504 177.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.41 -48.22 87.05 Favored Glycine 0 CA--C 1.535 1.31 0 O-C-N 123.91 0.756 . . . . 32.420000000000002 114.102 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -67.16 -35.72 80.3 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 123.325 0.65 . . . . 64.420000000000002 112.438 -179.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.0 mt -72.74 -42.1 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.322 0.649 . . . . 74.120000000000005 111.158 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 71.6 t90 -64.62 -49.34 71.46 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.269 0.628 . . . . 73.010000000000005 110.42 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -68.53 -23.07 64.49 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.522 0.729 . . . . 75.230000000000004 112.577 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.03 -34.89 79.04 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.989 -0.444 . . . . 62.130000000000003 111.534 171.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.611 HD11 HG12 ' A' ' 30' ' ' ILE . 8.4 mp -102.34 -9.65 20.16 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 114.088 1.144 . . . . 73.239999999999995 114.088 -177.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -65.37 127.16 30.65 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 119.745 1.157 . . . . 75.329999999999998 111.599 -176.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.42 20.2 57.17 Favored Glycine 0 CA--C 1.543 1.794 0 CA-C-N 116.094 -0.503 . . . . 63.399999999999999 113.978 -173.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.2 p -131.07 174.61 9.85 Favored 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 123.411 0.684 . . . . 74.540000000000006 110.605 176.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -13.08 50.07 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.756 0.822 . . . . 54.020000000000003 112.606 176.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.61 142.81 5.73 Favored Glycine 0 C--N 1.352 1.449 0 N-CA-C 113.642 0.217 . . . . 55.229999999999997 113.642 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.479 HD23 ' HG ' ' A' ' 19' ' ' LEU . 3.3 mm? -126.66 167.25 15.96 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 124.068 0.947 . . . . 65.230000000000004 111.191 -178.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.6 p -91.93 169.64 10.51 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.033 0.533 . . . . 63.119999999999997 110.84 174.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -55.33 -33.02 62.99 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.367 0.667 . . . . 63.409999999999997 111.972 177.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -56.29 -52.08 65.84 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.61 0.764 . . . . 64.530000000000001 112.422 175.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.461 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 1.8 mp0 -67.74 -39.05 84.25 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.948 0.499 . . . . 73.310000000000002 111.414 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.611 HG12 HD11 ' A' ' 19' ' ' LEU . 64.1 mt -64.77 -44.85 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.011 0.525 . . . . 53.530000000000001 110.803 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -66.94 -32.59 73.94 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.024 0.93 . . . . 75.439999999999998 111.624 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -68.85 -46.62 68.02 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.204 0.602 . . . . 75.010000000000005 110.08 176.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.68 -50.1 59.44 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.441 0.696 . . . . 60.009999999999998 111.938 -177.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 79.5 p -73.37 -24.6 60.34 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.217 1.007 . . . . 75.239999999999995 111.891 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt 66.51 29.0 9.28 Favored 'General case' 0 CA--C 1.57 1.733 0 C-N-CA 124.908 1.283 . . . . 71.200000000000003 110.833 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 pp -76.67 162.14 27.96 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.914 -0.491 . . . . 62.329999999999998 111.737 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -103.8 -58.19 1.92 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.1 0.56 . . . . 72.129999999999995 111.621 -175.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.79 147.69 22.8 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 121.221 0.534 . . . . 70.040000000000006 112.263 -171.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -59.83 -33.06 71.27 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.643 -0.708 . . . . 64.430000000000007 110.489 168.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -55.88 -53.16 60.21 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.231 1.412 . . . . 64.409999999999997 113.831 -175.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -73.3 -27.52 61.59 Favored 'General case' 0 N--CA 1.483 1.225 0 CA-C-O 120.713 0.292 . . . . 72.019999999999996 110.718 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -59.02 -41.25 87.33 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 123.013 0.525 . . . . 73.209999999999994 111.241 170.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.62 -32.52 73.28 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 112.549 0.574 . . . . 74.420000000000002 112.549 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -71.77 -31.49 66.69 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 122.503 0.321 . . . . 71.030000000000001 111.29 174.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.437 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -75.06 -62.3 2.81 Favored Glycine 0 C--N 1.353 1.483 0 CA-C-N 116.619 -0.264 . . . . 44.329999999999998 113.246 175.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.568 HD11 HG21 ' A' ' 66' ' ' VAL . 58.5 tp -59.6 -33.55 71.61 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.271 1.029 . . . . 63.350000000000001 112.168 177.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.21 -31.23 74.3 Favored Glycine 0 N--CA 1.472 1.079 0 CA-C-N 115.821 -0.627 . . . . 62.32 112.322 176.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.597 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 29.1 t-105 -70.34 -33.61 71.68 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 122.613 0.365 . . . . 63.119999999999997 110.318 172.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 45' ' ' GLY . 6.8 mp -65.51 -33.02 74.96 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.088 0.555 . . . . 74.329999999999998 111.528 173.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.3 mt -68.49 -43.21 77.36 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.534 0.733 . . . . 73.209999999999994 111.372 173.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.939 ' HB2' ' HB3' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -73.52 -18.43 61.09 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 120.857 0.36 . . . . 70.530000000000001 111.886 179.033 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.505 ' HB3' ' NZ ' ' A' ' 54' ' ' LYS . 45.2 mm-40 -93.0 -6.31 48.66 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.987 0.915 . . . . 61.130000000000003 112.144 173.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 63.35 13.44 7.05 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 125.001 1.32 . . . . 65.099999999999994 112.923 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.505 ' NZ ' ' HB3' ' A' ' 52' ' ' GLU . 28.1 mtmm -95.16 16.68 15.87 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.585 0.754 . . . . 75.530000000000001 112.855 -174.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.421 HG12 HD23 ' A' ' 68' ' ' LEU . 17.4 m -138.13 153.84 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 113.786 1.032 . . . . 74.219999999999999 113.786 170.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.7 t -113.17 124.67 70.04 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-N 114.11 -1.405 . . . . 62.509999999999998 108.638 163.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.5 p -103.2 150.62 23.52 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.19 0.596 . . . . 63.140000000000001 111.774 -175.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.8 t -158.29 172.78 17.75 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.573 1.149 . . . . 43.43 110.325 -175.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -121.97 123.31 41.37 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.979 0.512 . . . . 72.0 110.995 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.3 t -114.92 114.11 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 123.907 0.883 . . . . 74.239999999999995 110.174 171.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 58.45 35.69 24.88 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 124.484 1.114 . . . . 64.510000000000005 112.934 173.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.91 9.9 86.22 Favored Glycine 0 N--CA 1.481 1.648 0 N-CA-C 114.152 0.421 . . . . 62.399999999999999 114.152 -177.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -114.02 144.78 42.55 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.963 0.905 . . . . 72.129999999999995 110.373 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.7 mt -70.93 106.24 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 122.883 0.473 . . . . 72.530000000000001 110.763 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -100.88 137.68 38.94 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.083 0.953 . . . . 73.209999999999994 109.49 174.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.568 HG21 HD11 ' A' ' 46' ' ' LEU . 9.5 p -140.81 152.3 20.58 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 O-C-N 122.081 -0.387 . . . . 75.129999999999995 111.459 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.44 146.9 48.69 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.403 0.681 . . . . 53.329999999999998 109.894 176.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.421 HD23 HG12 ' A' ' 55' ' ' VAL . 45.0 mt -82.82 136.48 34.63 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 112.446 0.535 . . . . 74.219999999999999 112.446 -177.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.9 t . . . . . 0 CA--C 1.552 1.028 0 N-CA-C 107.645 -1.243 . . . . 72.420000000000002 107.645 157.447 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 95.7 mmm . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 113.547 0.944 . . . . 63.219999999999999 113.547 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.26 -17.11 64.23 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.717 0.807 . . . . 73.519999999999996 111.868 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -68.59 -43.54 76.27 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.833 0.853 . . . . 74.109999999999999 111.181 171.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -69.27 -33.32 73.04 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 115.838 -0.619 . . . . 75.299999999999997 110.876 177.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -63.61 -44.19 94.69 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 124.364 1.066 . . . . 62.530000000000001 110.303 172.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.07 -36.09 78.68 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 123.61 0.764 . . . . 53.530000000000001 111.846 173.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.71 -34.59 78.44 Favored Glycine 0 C--N 1.352 1.44 0 CA-C-N 115.883 -0.599 . . . . 74.319999999999993 113.41 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.91 -38.56 91.38 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.293 0.637 . . . . 73.010000000000005 111.007 175.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 69.4 mt -66.86 -41.26 87.62 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.253 -0.885 . . . . 73.510000000000005 111.018 174.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.06 -46.06 82.75 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.584 0.753 . . . . 72.239999999999995 112.793 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.89 -52.71 50.65 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-N 115.826 -0.624 . . . . 60.020000000000003 114.358 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -66.33 -40.54 89.95 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.178 0.591 . . . . 75.140000000000001 112.26 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.465 HD12 ' HA3' ' B' ' 45' ' ' GLY . 97.1 mt -65.17 -42.73 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 123.39 0.676 . . . . 73.200000000000003 111.081 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . 0.403 ' CD1' ' HD3' ' B' ' 54' ' ' LYS . 81.1 t90 -61.07 -39.66 90.74 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 116.554 -0.294 . . . . 74.340000000000003 111.244 175.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.44 -25.55 66.79 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 112.854 0.687 . . . . 75.239999999999995 112.854 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.33 -36.37 83.85 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 121.021 0.438 . . . . 72.319999999999993 110.66 169.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.528 HD21 HG23 ' B' ' 66' ' ' VAL . 9.2 mp -85.61 -18.52 33.06 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.952 0.901 . . . . 75.510000000000005 112.564 177.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -64.33 122.03 15.72 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.665 0.786 . . . . 75.5 111.701 -174.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.87 -28.19 17.14 Favored Glycine 0 CA--C 1.536 1.373 0 CA-C-N 116.033 -0.53 . . . . 75.150000000000006 112.886 -174.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.2 m -101.26 172.45 6.99 Favored 'General case' 0 CA--C 1.564 1.493 0 C-N-CA 124.174 0.99 . . . . 60.350000000000001 109.767 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -106.17 -1.08 24.07 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.158 0.583 . . . . 62.43 112.105 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.89 132.36 1.33 Allowed Glycine 0 C--N 1.36 1.896 0 N-CA-C 114.298 0.479 . . . . 65.030000000000001 114.298 -173.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' B' ' 19' ' ' LEU . 7.4 mp -128.17 161.1 30.07 Favored 'General case' 0 N--CA 1.5 2.029 0 C-N-CA 124.055 0.942 . . . . 73.420000000000002 110.844 176.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 27.7 p -86.12 158.93 19.67 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 116.243 -0.435 . . . . 74.340000000000003 109.884 170.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -55.8 -42.84 76.21 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.257 0.623 . . . . 72.439999999999998 111.503 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -59.2 -41.36 88.35 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.664 0.786 . . . . 64.319999999999993 112.141 177.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -65.48 -41.8 92.92 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.453 0.701 . . . . 72.140000000000001 111.517 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.6 mt -67.02 -45.9 85.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 115.41 -0.813 . . . . 64.450000000000003 110.72 -178.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.471 ' HA ' HD23 ' B' ' 36' ' ' LEU . 9.3 mtpm? -61.22 -28.22 69.0 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.89 0.876 . . . . 61.43 111.964 177.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -70.27 -47.29 61.9 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 123.078 0.551 . . . . 71.329999999999998 111.469 171.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.64 -45.9 67.41 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.416 0.686 . . . . 34.119999999999997 112.784 -175.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 10.9 p -82.37 -19.05 39.96 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.401 1.08 . . . . 75.109999999999999 112.308 178.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt 60.46 56.66 3.06 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.006 0.923 . . . . 73.519999999999996 112.06 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.53 HD12 ' HB2' ' B' ' 41' ' ' ASP . 2.4 pt? -121.74 140.67 52.03 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 115.946 -0.57 . . . . 72.040000000000006 110.685 175.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -84.98 -48.78 8.91 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.477 0.711 . . . . 64.219999999999999 110.783 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.73 118.89 13.16 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-O 121.324 0.583 . . . . 63.020000000000003 112.404 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.66 -27.05 68.4 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.025 0.93 . . . . 74.329999999999998 110.988 171.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.401 ' O ' HD13 ' B' ' 44' ' ' LEU . 72.0 mmtt -54.8 -50.71 67.86 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.904 1.281 . . . . 34.43 111.901 -177.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.53 ' HB2' HD12 ' B' ' 36' ' ' LEU . 5.8 m-20 -63.27 -30.68 71.78 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.664 0.786 . . . . 60.350000000000001 112.003 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -61.47 -45.52 93.9 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.61 0.364 . . . . 54.409999999999997 110.889 172.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -67.51 -38.35 84.16 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.056 0.542 . . . . 73.329999999999998 111.932 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.401 HD13 ' O ' ' B' ' 40' ' ' LYS . 9.4 mp -63.82 -47.34 81.2 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.704 0.802 . . . . 70.310000000000002 111.362 177.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . 0.474 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -66.39 -43.65 92.16 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-N 116.173 -0.467 . . . . 55.240000000000002 113.143 176.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.16 -31.95 73.23 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.068 0.947 . . . . 61.420000000000002 111.62 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.0 -31.38 72.39 Favored Glycine 0 N--CA 1.472 1.052 0 CA-C-N 115.721 -0.672 . . . . 51.229999999999997 112.223 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' TRP . . . . . 0.51 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 26.5 t-105 -72.03 -36.53 69.7 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.209 0.604 . . . . 64.540000000000006 110.499 173.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.561 HD23 HG11 ' B' ' 55' ' ' VAL . 5.5 mp -63.07 -30.4 71.57 Favored 'General case' 0 CA--C 1.57 1.717 0 C-N-CA 123.155 0.582 . . . . 75.219999999999999 111.452 173.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.0 mt -69.89 -36.69 75.65 Favored 'General case' 0 CA--C 1.566 1.566 0 N-CA-C 113.548 0.944 . . . . 74.219999999999999 113.548 175.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.939 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 14.4 ptm180 -70.97 -33.25 70.26 Favored 'General case' 0 N--CA 1.504 2.23 0 CA-C-N 119.09 0.859 . . . . 75.019999999999996 111.803 177.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -79.99 -18.94 48.98 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 115.612 -0.722 . . . . 72.329999999999998 110.665 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 34.6 t70 69.82 18.53 7.36 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.214 1.406 . . . . 61.43 111.122 175.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.403 ' HD3' ' CD1' ' B' ' 16' ' ' TRP . 2.5 ptpp? -79.93 -8.73 59.49 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 115.632 -0.713 . . . . 73.349999999999994 112.125 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.561 HG11 HD23 ' B' ' 49' ' ' LEU . 22.3 m -132.46 163.65 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-O 121.934 0.873 . . . . 72.340000000000003 112.303 177.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.555 HG13 HG22 ' B' ' 69' ' ' VAL . 19.9 m -129.92 142.05 44.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 114.116 -1.402 . . . . 74.040000000000006 108.995 168.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 47.1 p -101.4 139.62 36.81 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.14 0.576 . . . . 64.150000000000006 110.777 -177.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 68.8 m -147.83 171.41 15.76 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.172 0.989 . . . . 75.150000000000006 110.656 -176.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -123.13 121.7 36.64 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.742 0.817 . . . . 65.230000000000004 109.565 176.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 35.5 t -119.96 113.35 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.894 0.878 . . . . 74.530000000000001 110.04 174.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 51.3 44.98 28.57 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 125.421 1.488 . . . . 70.519999999999996 113.837 172.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.35 3.5 88.61 Favored Glycine 0 CA--C 1.539 1.561 0 CA-C-N 115.701 -0.681 . . . . 70.230000000000004 114.519 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -119.18 147.8 43.81 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.115 0.966 . . . . 75.219999999999999 110.887 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 57.8 mt -68.04 124.35 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 123.096 0.558 . . . . 74.310000000000002 109.951 174.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -128.46 114.39 16.74 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.458 0.703 . . . . 73.030000000000001 109.832 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.528 HG23 HD21 ' B' ' 19' ' ' LEU . 32.6 m -115.24 138.68 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 122.992 0.517 . . . . 61.32 111.096 -177.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -120.9 160.69 22.94 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.372 0.669 . . . . 54.299999999999997 110.967 -174.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.461 HD23 HG12 ' B' ' 55' ' ' VAL . 89.1 mt -86.24 44.47 1.14 Allowed 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 122.878 0.471 . . . . 73.540000000000006 111.754 176.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.555 HG22 HG13 ' B' ' 56' ' ' VAL . 11.5 t . . . . . 0 N--CA 1.497 1.882 0 C-N-CA 124.805 1.242 . . . . 64.140000000000001 110.375 -173.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 N--CA 1.505 2.322 0 N-CA-C 112.209 0.448 . . . . 71.049999999999997 112.209 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -66.42 -38.04 86.55 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.914 1.286 . . . . 74.109999999999999 110.774 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -70.07 -39.38 75.68 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.426 -0.806 . . . . 71.5 110.088 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.636 ' HE2' HD11 ' A' ' 11' ' ' LEU . 58.7 tttt -59.91 -42.29 93.55 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 115.008 -0.996 . . . . 75.329999999999998 111.408 172.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.87 -34.81 76.68 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.704 0.802 . . . . 75.420000000000002 111.334 178.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.38 -36.81 69.96 Favored Glycine 0 CA--C 1.54 1.637 0 CA-C-N 115.495 -0.775 . . . . 52.130000000000003 113.005 173.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.99 -43.85 86.57 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.566 0.746 . . . . 50.450000000000003 111.372 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.636 HD11 ' HE2' ' A' ' 7' ' ' LYS . 87.8 mt -68.9 -33.5 73.86 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.952 0.901 . . . . 73.439999999999998 110.714 176.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.479 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -59.25 -43.28 92.43 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.384 0.674 . . . . 51.229999999999997 112.244 175.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 17' ' ' GLU . . . -58.67 -52.5 52.68 Favored Glycine 0 CA--C 1.536 1.395 0 CA-C-N 115.554 -0.748 . . . . 74.430000000000007 113.926 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -69.95 -34.91 74.03 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.291 0.636 . . . . 65.099999999999994 112.306 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.636 HG23 HG21 ' A' ' 30' ' ' ILE . 63.2 mt -67.14 -39.17 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 C-N-CA 123.112 0.565 . . . . 73.519999999999996 110.908 174.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -60.26 -44.3 95.42 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 123.454 0.701 . . . . 70.420000000000002 111.011 172.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 13' ' ' GLY . 37.0 mt-10 -66.41 -29.44 69.59 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.36 0.664 . . . . 71.409999999999997 112.613 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.34 -36.42 82.86 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.868 0.467 . . . . 51.32 110.937 173.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 67' ' ' LYS . 96.2 mt -87.27 -18.29 30.55 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 123.909 0.884 . . . . 71.340000000000003 112.472 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -64.75 123.42 19.31 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.251 0.621 . . . . 74.030000000000001 111.649 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.3 12.31 69.03 Favored Glycine 0 CA--C 1.541 1.672 0 CA-C-N 116.063 -0.517 . . . . 73.530000000000001 114.023 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.526 HG22 ' H ' ' A' ' 24' ' ' GLY . 10.1 m -118.87 149.22 41.91 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.901 0.88 . . . . 71.329999999999998 110.754 -176.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.38 -23.22 66.29 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.906 0.883 . . . . 75.340000000000003 112.836 176.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.526 ' H ' HG22 ' A' ' 22' ' ' THR . . . 123.71 147.82 7.36 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 113.952 0.341 . . . . 74.25 113.952 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.599 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 2.4 mm? -127.21 164.3 21.99 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.626 0.771 . . . . 64.310000000000002 110.178 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 78.2 p -77.54 168.62 19.69 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 116.22 -0.445 . . . . 73.510000000000005 110.886 171.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -38.91 75.95 Favored 'General case' 0 CA--C 1.564 1.494 0 N-CA-C 113.402 0.89 . . . . 74.540000000000006 113.402 -174.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -65.45 -48.35 72.98 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.586 0.754 . . . . 62.539999999999999 110.986 174.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.599 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 13.2 mm-40 -63.44 -39.3 94.09 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 112.45 0.537 . . . . 73.530000000000001 112.45 -172.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.636 HG21 HG23 ' A' ' 15' ' ' ILE . 56.5 mt -68.38 -46.14 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-O 120.712 0.291 . . . . 73.319999999999993 110.338 175.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -57.39 -35.5 70.08 Favored 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 123.939 0.895 . . . . 71.349999999999994 110.918 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -69.48 -47.3 64.34 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.65 1.18 . . . . 54.43 111.06 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.72 74.48 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.903 0.881 . . . . 75.329999999999998 112.176 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.6 p -89.59 -2.55 58.36 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.771 0.829 . . . . 73.239999999999995 112.338 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt 70.2 23.7 5.09 Favored 'General case' 0 N--CA 1.501 2.099 0 C-N-CA 124.525 1.13 . . . . 62.530000000000001 112.125 175.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.9 mt -85.72 132.11 34.2 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.692 0.797 . . . . 75.530000000000001 109.924 175.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -89.73 -42.31 11.39 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.422 0.689 . . . . 74.329999999999998 111.161 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.05 141.62 28.32 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.82 0.848 . . . . 53.030000000000001 111.408 -176.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -61.13 -31.74 71.45 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.246 1.418 . . . . 64.439999999999998 111.998 176.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -57.09 -42.57 80.99 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.792 1.237 . . . . 72.420000000000002 112.785 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.97 -34.08 76.97 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.395 0.678 . . . . 63.43 111.388 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -64.9 -40.77 95.6 Favored 'General case' 0 CA--C 1.556 1.204 0 CA-C-N 116.027 -0.533 . . . . 70.400000000000006 111.046 174.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -64.03 -40.92 97.39 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 122.994 0.518 . . . . 72.420000000000002 112.333 178.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.25 -47.44 86.05 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.378 0.671 . . . . 43.43 111.644 176.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.603 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -66.4 -51.82 40.11 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 116.131 -0.486 . . . . 55.439999999999998 113.554 178.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.91 -36.76 82.28 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.781 0.833 . . . . 60.229999999999997 111.995 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.99 -31.29 78.07 Favored Glycine 0 N--CA 1.475 1.273 0 CA-C-N 116.015 -0.539 . . . . 41.130000000000003 112.818 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.501 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 11.2 t-105 -77.45 -29.65 52.92 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 123.222 0.609 . . . . 71.420000000000002 111.133 176.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.645 HD23 HG11 ' A' ' 55' ' ' VAL . 5.8 mp -64.95 -31.56 72.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.776 -0.577 . . . . 52.229999999999997 111.001 172.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.407 ' HB3' ' HG2' ' B' ' 5' ' ' LYS . 86.8 mt -72.14 -35.46 69.08 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.973 0.909 . . . . 75.439999999999998 112.874 178.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.573 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 12.2 ptm180 -61.02 -27.07 68.06 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 113.713 1.005 . . . . 62.109999999999999 113.713 -178.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.573 ' HG3' ' HG3' ' A' ' 51' ' ' ARG . 42.8 mt-10 -109.47 -9.27 14.93 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.266 0.626 . . . . 74.439999999999998 111.806 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 61.77 35.44 16.73 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.922 0.889 . . . . 70.219999999999999 111.544 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -77.84 -6.62 54.8 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 115.23 -0.895 . . . . 71.0 111.259 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.645 HG11 HD23 ' A' ' 49' ' ' LEU . 31.0 m -132.66 161.9 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.092 0.957 . . . . 71.400000000000006 111.093 177.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.675 HG13 HG22 ' A' ' 69' ' ' VAL . 15.8 m -116.93 127.9 74.45 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.033 0 C-N-CA 124.071 0.948 . . . . 74.140000000000001 110.654 170.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.0 p -106.05 133.88 50.06 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.53 1.132 . . . . 63.130000000000003 110.106 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.6 t -123.56 148.44 46.34 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.462 1.105 . . . . 54.43 110.075 -178.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -97.23 101.29 12.82 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.595 -0.891 . . . . 73.040000000000006 108.595 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.3 t -122.13 111.18 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.51 0.724 . . . . 63.229999999999997 110.209 -174.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 58.16 35.44 25.06 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 124.897 1.279 . . . . 75.439999999999998 112.116 176.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.52 -13.57 57.8 Favored Glycine 0 CA--C 1.543 1.814 0 CA-C-N 115.885 -0.598 . . . . 22.120000000000001 114.193 -177.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -98.67 155.35 17.37 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.768 0.827 . . . . 54.340000000000003 111.921 -171.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.1 mt -85.24 111.1 20.24 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.178 0 C-N-CA 123.435 0.694 . . . . 74.349999999999994 110.41 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -106.35 133.51 50.93 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.091 0.956 . . . . 71.439999999999998 108.623 171.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.1 p -139.51 149.42 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 CA-C-O 121.26 0.552 . . . . 74.349999999999994 112.476 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.475 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 20.7 pttp -154.73 169.82 23.04 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.182 0.993 . . . . 75.219999999999999 109.707 177.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.542 HD23 HG12 ' A' ' 55' ' ' VAL . 48.4 mt -68.05 160.46 28.79 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 118.504 0.593 . . . . 71.530000000000001 111.51 173.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.675 HG22 HG13 ' A' ' 56' ' ' VAL . 15.8 t . . . . . 0 CA--C 1.556 1.177 0 CA-C-O 121.582 0.706 . . . . 75.310000000000002 109.188 175.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . 0.643 ' HB3' ' HB2' ' B' ' 6' ' ' GLU . 12.0 tpt . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.297 0.094 . . . . 71.439999999999998 110.781 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.39 -28.74 67.37 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.234 0.614 . . . . 61.310000000000002 111.076 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.437 ' H ' ' HG3' ' B' ' 3' ' ' MET . 0.9 OUTLIER -67.67 -45.11 76.16 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.532 0.733 . . . . 63.439999999999998 110.212 169.171 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.643 ' HB2' ' HB3' ' B' ' 3' ' ' MET . 2.9 tp10 -70.27 -39.08 75.15 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.434 0.694 . . . . 73.129999999999995 112.388 -169.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -32.59 73.74 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.844 0.457 . . . . 62.140000000000001 111.616 178.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.24 -36.8 85.28 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.537 0.735 . . . . 73.230000000000004 111.154 175.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.63 -38.53 57.23 Favored Glycine 0 C--N 1.35 1.339 0 CA-C-N 115.967 -0.56 . . . . 54.43 113.717 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.9 97.52 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.624 0.77 . . . . 74.409999999999997 111.274 176.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.525 HD22 HD21 ' B' ' 36' ' ' LEU . 81.2 mt -71.75 -37.92 70.48 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.396 -0.82 . . . . 64.510000000000005 111.473 175.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.52 -40.28 86.61 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.335 0.654 . . . . 73.510000000000005 112.656 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.47 -53.57 44.89 Favored Glycine 0 CA--C 1.534 1.281 0 O-C-N 123.779 0.675 . . . . 44.030000000000001 113.305 177.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -70.14 -33.94 72.43 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.076 0.55 . . . . 71.230000000000004 112.404 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.502 HG23 HG21 ' B' ' 30' ' ' ILE . 79.4 mt -64.56 -44.33 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 122.982 0.513 . . . . 75.519999999999996 110.512 175.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -63.73 -41.96 97.98 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.233 0.613 . . . . 65.030000000000001 111.451 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.03 -34.93 78.62 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 123.372 0.669 . . . . 70.030000000000001 111.782 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.65 81.62 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.304 0.642 . . . . 63.310000000000002 111.26 173.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.43 HD23 HD13 ' B' ' 25' ' ' LEU . 75.8 mt -78.35 -29.59 47.61 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.082 0.953 . . . . 62.340000000000003 112.003 177.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -67.89 124.39 23.22 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.681 0.792 . . . . 63.130000000000003 111.359 -173.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.24 -37.4 3.4 Favored Glycine 0 CA--C 1.538 1.505 0 CA-C-N 116.013 -0.539 . . . . 50.219999999999999 112.668 -172.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.9 m -78.97 158.69 27.93 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.098 0.959 . . . . 73.040000000000006 110.848 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.27 10.13 9.21 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.452 0.701 . . . . 74.25 112.267 176.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.65 146.49 10.86 Favored Glycine 0 C--N 1.346 1.109 0 C-N-CA 123.048 0.356 . . . . 63.299999999999997 112.32 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.641 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 5.2 mp -124.95 159.78 30.43 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.191 0.596 . . . . 74.400000000000006 110.385 -177.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 69.3 p -82.55 170.73 14.87 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 116.358 -0.383 . . . . 54.329999999999998 110.448 171.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -55.08 -34.04 63.28 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 123.809 0.843 . . . . 74.420000000000002 112.123 174.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -63.65 -53.49 50.6 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 124.509 1.123 . . . . 74.209999999999994 112.051 174.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . 0.641 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 69.7 mt-30 -69.29 -40.4 77.75 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.966 0.906 . . . . 72.329999999999998 112.891 -170.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.502 HG21 HG23 ' B' ' 15' ' ' ILE . 71.3 mt -60.91 -39.05 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 122.817 0.447 . . . . 74.439999999999998 111.278 178.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -64.05 -25.42 68.1 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 113.216 0.821 . . . . 72.439999999999998 113.216 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -66.95 -55.93 12.43 Favored 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 109.173 -0.677 . . . . 75.340000000000003 109.173 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.51 86.41 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.529 0.732 . . . . 51.109999999999999 112.304 -173.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 80.5 p -81.64 -21.93 37.91 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.868 0.867 . . . . 54.219999999999999 112.021 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 68.56 35.59 3.16 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 124.735 1.214 . . . . 64.430000000000007 111.404 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.525 HD21 HD22 ' B' ' 11' ' ' LEU . 68.8 mt -81.59 124.72 29.77 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.25 0.62 . . . . 70.209999999999994 110.93 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -82.76 -49.94 9.21 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.944 0.897 . . . . 74.140000000000001 110.859 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.58 131.37 37.75 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.404 0.681 . . . . 74.540000000000006 111.528 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -64.83 -26.44 68.34 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.679 0.791 . . . . 75.120000000000005 111.402 169.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -59.29 -34.97 72.93 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.393 1.077 . . . . 74.120000000000005 112.784 177.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -71.91 -45.81 59.91 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.224 0.61 . . . . 70.140000000000001 110.532 171.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -57.6 -39.04 75.95 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 114.86 -1.064 . . . . 72.400000000000006 112.964 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -64.45 -37.63 88.2 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 123.089 0.556 . . . . 73.049999999999997 112.256 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.37 -40.12 67.52 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.42 0.688 . . . . 62.530000000000001 111.337 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . 0.426 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -66.56 -46.29 77.92 Favored Glycine 0 N--CA 1.478 1.45 0 CA-C-N 116.455 -0.339 . . . . 64.409999999999997 113.004 176.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.672 HD11 HG11 ' B' ' 66' ' ' VAL . 36.3 tp -70.53 -30.71 67.53 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 124.004 0.922 . . . . 75.030000000000001 111.315 178.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.72 -30.59 70.55 Favored Glycine 0 N--CA 1.476 1.311 0 CA-C-N 115.319 -0.855 . . . . 73.530000000000001 112.31 176.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' TRP . . . . . 0.549 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 8.7 t-105 -64.7 -40.9 96.16 Favored 'General case' 0 CA--C 1.562 1.421 0 C-N-CA 123.137 0.575 . . . . 73.549999999999997 110.089 171.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.492 HD23 HG11 ' B' ' 55' ' ' VAL . 6.5 mp -56.98 -28.88 62.75 Favored 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 123.35 0.66 . . . . 53.439999999999998 112.66 177.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.07 -42.32 84.9 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.192 0.597 . . . . 62.240000000000002 111.993 172.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' B' ' 48' ' ' TRP . 12.5 ptp180 -66.23 -28.3 68.62 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 121.302 0.572 . . . . 74.329999999999998 110.275 176.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.414 ' HB3' ' HE2' ' B' ' 54' ' ' LYS . 27.8 mm-40 -78.85 -20.22 50.1 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.433 -0.803 . . . . 75.310000000000002 111.579 178.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 p30 51.75 25.32 2.85 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 126.043 1.737 . . . . 73.120000000000005 112.917 -172.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' B' ' 52' ' ' GLU . 56.6 mtmt -87.47 -0.36 56.7 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.645 0.778 . . . . 72.540000000000006 111.915 178.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.492 HG11 HD23 ' B' ' 49' ' ' LEU . 35.3 m -132.63 163.17 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-O 121.651 0.738 . . . . 62.130000000000003 112.805 176.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 6.7 p -129.72 133.09 65.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 C-N-CA 125.143 1.377 . . . . 74.109999999999999 108.328 167.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . 0.469 HG22 HG12 ' B' ' 66' ' ' VAL . 34.1 p -102.48 154.93 18.62 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 121.238 0.542 . . . . 75.219999999999999 111.09 -172.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 79.9 p -163.46 171.96 15.18 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.633 1.173 . . . . 72.209999999999994 109.47 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -113.17 108.64 17.57 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.97 -0.752 . . . . 74.430000000000007 108.97 172.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 41.1 t -108.66 120.53 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.832 0.853 . . . . 64.409999999999997 109.936 175.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 58.07 29.67 18.14 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.838 1.655 . . . . 73.219999999999999 112.982 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.77 -3.24 65.06 Favored Glycine 0 CA--C 1.541 1.692 0 N-CA-C 114.982 0.753 . . . . 70.530000000000001 114.982 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -117.45 163.27 16.64 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 118.108 0.954 . . . . 74.299999999999997 112.02 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 70.7 mt -72.81 122.05 24.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 CA-C-N 115.278 -0.874 . . . . 70.230000000000004 109.529 174.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -128.26 128.04 43.93 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.267 1.027 . . . . 50.049999999999997 109.47 -176.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.672 HG11 HD11 ' B' ' 46' ' ' LEU . 29.2 m -123.44 147.51 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.33 0.652 . . . . 71.349999999999994 111.314 -176.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -129.15 151.11 50.18 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.524 1.13 . . . . 72.109999999999999 108.756 -177.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 58.2 mt -76.92 73.53 3.53 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-N 119.462 1.028 . . . . 54.039999999999999 111.638 175.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 15.7 t . . . . . 0 N--CA 1.5 2.044 0 C-N-CA 124.889 1.276 . . . . 61.200000000000003 111.661 -178.598 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 CA--C 1.562 1.416 0 N-CA-C 111.837 0.31 . . . . 74.540000000000006 111.837 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -59.27 -48.63 80.89 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.309 1.044 . . . . 72.340000000000003 111.373 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -65.99 -33.04 74.89 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 115.017 -0.992 . . . . 72.140000000000001 110.454 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -44.73 72.5 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.664 0.786 . . . . 73.299999999999997 111.358 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.89 -34.72 71.98 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.729 0.812 . . . . 74.049999999999997 112.353 177.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.92 -39.73 96.72 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-N 115.951 -0.568 . . . . 64.540000000000006 113.766 174.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.08 -33.41 75.97 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.375 0.67 . . . . 54.229999999999997 111.768 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.44 -42.02 83.81 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.763 0.825 . . . . 61.049999999999997 111.315 176.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.418 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -57.73 -41.98 82.95 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.939 0.896 . . . . 74.040000000000006 112.811 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.52 -37.89 84.63 Favored Glycine 0 CA--C 1.536 1.397 0 CA-C-N 115.753 -0.658 . . . . 64.129999999999995 113.648 177.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -73.1 -46.26 52.36 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.319 0.648 . . . . 65.400000000000006 111.502 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.611 HG23 HG21 ' A' ' 30' ' ' ILE . 68.2 mt -66.68 -41.87 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 123.689 0.796 . . . . 72.019999999999996 111.91 -176.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -60.99 -43.36 98.95 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.069 0.548 . . . . 73.319999999999993 110.777 173.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.07 -30.97 69.41 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.56 0.744 . . . . 75.519999999999996 111.47 -177.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.0 -30.97 68.42 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.505 0.722 . . . . 62.340000000000003 111.271 173.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.5 mt -81.31 -20.15 41.38 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.759 0.824 . . . . 53.140000000000001 111.844 172.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -79.56 120.24 23.64 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.425 0.69 . . . . 71.329999999999998 109.24 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.68 -8.76 37.34 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 122.874 0.273 . . . . 74.420000000000002 112.777 -169.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.7 p -129.18 168.72 15.74 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.496 1.118 . . . . 75.340000000000003 109.789 175.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -91.07 -4.05 56.64 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 111.876 0.324 . . . . 71.510000000000005 111.876 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.35 131.63 2.54 Favored Glycine 0 C--N 1.35 1.344 0 CA-C-N 116.637 -0.256 . . . . 62.149999999999999 113.067 -175.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.426 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 98.1 mt -125.4 159.32 32.14 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.894 0.877 . . . . 72.140000000000001 110.941 -178.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.2 p -82.82 167.13 18.39 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 109.475 -0.565 . . . . 50.399999999999999 109.475 173.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 20.3 pt20 -51.34 -42.74 61.48 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 123.393 0.677 . . . . 62.039999999999999 112.435 -177.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -57.68 -49.62 75.91 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.465 1.106 . . . . 71.25 113.058 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.426 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 47.8 mt-30 -67.19 -33.0 74.45 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.689 0.795 . . . . 74.439999999999998 111.864 -174.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.611 HG21 HG23 ' A' ' 15' ' ' ILE . 57.3 mt -73.31 -45.43 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.41 0.684 . . . . 60.109999999999999 111.132 177.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 27' ' ' GLN . 51.5 mtpt -59.55 -34.03 72.15 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.416 0.687 . . . . 43.340000000000003 111.781 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -69.91 -48.11 59.85 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 123.45 0.7 . . . . 60.530000000000001 110.342 175.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.0 -34.18 77.83 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.533 0.733 . . . . 70.230000000000004 112.621 -177.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.8 p -87.95 -17.2 31.83 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.876 0.871 . . . . 73.25 111.467 176.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm 65.94 31.38 9.26 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 125.369 1.468 . . . . 65.409999999999997 112.575 -178.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 pp -101.93 137.29 40.41 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-O 121.196 0.522 . . . . 75.310000000000002 110.389 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.65 -12.81 30.62 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.568 0.747 . . . . 71.0 112.315 -179.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -98.23 114.08 26.22 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.437 0.695 . . . . 75.340000000000003 112.4 -170.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -59.58 -27.41 66.24 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.116 0.566 . . . . 70.299999999999997 110.555 168.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 40' ' ' LYS . 2.0 mmmp? -50.49 -57.9 7.0 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.46 1.504 . . . . 62.109999999999999 112.662 175.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -76.94 -21.53 54.67 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.972 0.509 . . . . 63.009999999999998 111.48 -177.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -63.11 -40.45 97.66 Favored 'General case' 0 CA--C 1.557 1.221 0 CA-C-N 115.768 -0.651 . . . . 74.109999999999999 110.9 170.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -65.34 -39.78 92.82 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 123.064 0.546 . . . . 74.099999999999994 112.201 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.78 -46.15 89.35 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.414 0.686 . . . . 34.100000000000001 111.303 178.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.607 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -68.97 -50.72 32.91 Favored Glycine 0 CA--C 1.537 1.421 0 CA-C-N 116.062 -0.517 . . . . 62.130000000000003 113.311 177.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.4 tp -56.7 -38.16 71.9 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.304 1.042 . . . . 74.329999999999998 112.141 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.9 -31.61 72.87 Favored Glycine 0 N--CA 1.476 1.309 0 CA-C-N 115.21 -0.904 . . . . 72.340000000000003 112.336 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.523 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 8.6 t-105 -74.15 -31.79 62.86 Favored 'General case' 0 CA--C 1.564 1.51 0 C-N-CA 123.928 0.891 . . . . 60.210000000000001 110.699 175.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.471 HD23 HG11 ' A' ' 55' ' ' VAL . 6.4 mp -66.4 -36.36 82.63 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.596 -0.69 . . . . 45.539999999999999 110.705 172.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.507 HD21 HG23 ' A' ' 57' ' ' THR . 96.2 mt -71.68 -34.13 69.42 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.943 0.897 . . . . 70.25 112.627 175.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.644 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 7.9 ptt180 -60.9 -37.35 81.94 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 112.09 0.404 . . . . 72.430000000000007 112.09 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.644 ' HG3' ' HG3' ' A' ' 51' ' ' ARG . 44.3 mt-10 -100.36 -6.6 25.52 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.82 0.848 . . . . 65.219999999999999 112.031 -178.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 63.49 36.21 11.41 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 124.258 1.023 . . . . 52.219999999999999 112.359 174.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.53 ' HE3' ' HB2' ' A' ' 52' ' ' GLU . 14.9 ptpt -85.21 -5.87 59.3 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.222 0.609 . . . . 74.510000000000005 111.021 175.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.548 HG12 HD23 ' A' ' 68' ' ' LEU . 26.4 m -136.77 168.6 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 C-N-CA 124.465 1.106 . . . . 74.219999999999999 110.494 174.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.7 m -135.35 139.55 46.56 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 124.766 1.227 . . . . 73.510000000000005 109.598 168.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.507 HG23 HD21 ' A' ' 50' ' ' LEU . 39.9 p -106.78 148.1 28.87 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.624 0.769 . . . . 73.340000000000003 111.497 -173.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.2 m -137.82 154.31 49.54 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.833 1.253 . . . . 44.509999999999998 109.801 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -110.18 108.3 18.39 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.425 0.69 . . . . 71.400000000000006 109.368 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.4 t -121.43 109.34 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 123.473 0.709 . . . . 74.450000000000003 110.357 -173.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 51.59 32.54 9.23 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.249 1.42 . . . . 74.349999999999994 113.97 173.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.98 -21.45 45.83 Favored Glycine 0 CA--C 1.538 1.52 0 N-CA-C 114.639 0.615 . . . . 54.210000000000001 114.639 -178.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -80.05 136.35 36.55 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 117.834 0.817 . . . . 74.299999999999997 111.661 176.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 66.5 mt -75.1 100.79 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 N-CA-C 109.084 -0.71 . . . . 75.129999999999995 109.084 167.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -92.13 140.37 29.7 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.345 0.658 . . . . 62.020000000000003 109.959 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.0 p -140.46 147.31 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 C-N-CA 123.226 0.61 . . . . 63.420000000000002 110.726 172.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.7 147.31 35.45 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.098 0.559 . . . . 44.119999999999997 110.696 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.548 HD23 HG12 ' A' ' 55' ' ' VAL . 69.8 mt -64.11 147.3 52.55 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 110.347 -0.242 . . . . 71.430000000000007 110.347 174.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 78.5 t . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 121.54 0.686 . . . . 74.450000000000003 109.93 174.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 84.8 mtp . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.529 0.204 . . . . 62.310000000000002 111.485 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.68 -16.93 64.57 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.536 0.734 . . . . 72.420000000000002 112.381 175.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -60.92 -35.36 76.51 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.069 0.948 . . . . 53.210000000000001 112.305 172.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -63.16 -36.75 84.67 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.669 0.787 . . . . 72.049999999999997 112.41 -170.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -31.68 68.56 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 112.338 0.495 . . . . 73.430000000000007 112.338 178.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.76 84.94 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 122.85 0.46 . . . . 75.439999999999998 110.583 176.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.29 -34.46 57.78 Favored Glycine 0 CA--C 1.539 1.588 0 CA-C-N 115.37 -0.832 . . . . 73.510000000000005 113.518 174.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.47 -52.1 36.16 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.189 0.596 . . . . 65.109999999999999 111.206 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -57.63 -37.47 73.36 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.3 1.04 . . . . 74.129999999999995 111.383 174.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.514 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -56.88 -45.71 82.33 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.587 0.555 . . . . 64.230000000000004 112.035 175.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.01 -48.69 85.01 Favored Glycine 0 C--N 1.347 1.171 0 O-C-N 123.884 0.74 . . . . 73.209999999999994 113.211 175.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -59.85 -48.87 79.96 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 123.748 0.819 . . . . 75.230000000000004 111.777 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.578 HG23 HG21 ' B' ' 30' ' ' ILE . 97.9 mt -62.93 -44.75 99.82 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 124.061 0.945 . . . . 52.43 111.603 177.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -63.69 -39.5 94.46 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.478 0.711 . . . . 55.130000000000003 111.753 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -69.05 -26.42 64.96 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.654 0.782 . . . . 52.100000000000001 112.077 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.74 -29.89 65.01 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.029 0.532 . . . . 65.450000000000003 111.242 170.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.534 HD22 ' HA2' ' B' ' 24' ' ' GLY . 87.3 mt -86.69 -21.16 26.83 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.773 0.829 . . . . 72.219999999999999 111.811 176.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -70.05 120.54 15.9 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.74 0.816 . . . . 65.109999999999999 110.909 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.97 -33.62 5.62 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 115.801 -0.636 . . . . 41.340000000000003 113.04 -175.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 31.9 p -89.12 173.63 8.33 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.423 0.689 . . . . 74.450000000000003 111.702 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -89.65 8.57 30.81 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.832 0.853 . . . . 75.010000000000005 111.889 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.534 ' HA2' HD22 ' B' ' 19' ' ' LEU . . . 91.9 141.42 10.01 Favored Glycine 0 C--N 1.353 1.473 0 C-N-CA 122.835 0.255 . . . . 63.229999999999997 113.451 -176.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.84 176.54 5.35 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.913 0.885 . . . . 75.329999999999998 110.649 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 75.8 p -87.1 166.37 15.05 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 122.72 0.408 . . . . 73.099999999999994 110.326 172.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . 0.42 ' HG2' ' CD2' ' B' ' 42' ' ' PHE . 0.3 OUTLIER -51.9 -51.2 58.52 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.36 1.064 . . . . 73.400000000000006 111.474 -174.188 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -61.69 -32.42 72.61 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 113.116 0.784 . . . . 61.049999999999997 113.116 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -74.83 -40.95 60.77 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.156 0.582 . . . . 73.150000000000006 111.707 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.578 HG21 HG23 ' B' ' 15' ' ' ILE . 57.4 mt -71.79 -47.13 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 123.183 0.593 . . . . 71.310000000000002 111.492 -177.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -61.88 -29.39 70.16 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.518 0.327 . . . . 70.430000000000007 111.707 178.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -70.79 -49.88 41.77 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.126 0.57 . . . . 43.240000000000002 109.666 174.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.7 91.05 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.83 0.852 . . . . 73.129999999999995 112.379 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.472 ' OG1' ' HG ' ' B' ' 36' ' ' LEU . 72.2 p -86.44 -8.07 57.92 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.164 0.986 . . . . 65.239999999999995 111.874 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? 62.68 37.89 12.42 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 125.059 1.343 . . . . 65.239999999999995 112.435 177.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.472 ' HG ' ' OG1' ' B' ' 34' ' ' THR . 88.8 mt -64.49 127.59 32.15 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.482 0.713 . . . . 74.430000000000007 110.436 173.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 pptp? -67.29 -22.99 65.62 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.354 0.662 . . . . 73.510000000000005 112.596 -172.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.93 172.74 12.33 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.119 0.967 . . . . 32.210000000000001 110.878 174.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -69.81 -28.79 66.02 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.788 0.835 . . . . 65.239999999999995 110.224 170.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -63.75 -29.83 71.0 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.488 1.115 . . . . 70.420000000000002 112.952 -175.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -60.0 -41.23 91.66 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.517 0.727 . . . . 55.219999999999999 110.623 174.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 0.472 ' HA ' HD11 ' B' ' 15' ' ' ILE . 65.7 t80 -64.76 -43.73 92.34 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 114.849 -1.069 . . . . 71.439999999999998 111.763 -178.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -66.44 -33.44 75.7 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 122.96 0.504 . . . . 74.409999999999997 112.306 -173.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.66 -43.34 66.24 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.284 0.634 . . . . 75.409999999999997 111.309 175.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.46 -42.33 93.8 Favored Glycine 0 CA--C 1.537 1.464 0 CA-C-N 116.369 -0.378 . . . . 74.349999999999994 113.192 176.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.6 tp -64.45 -33.42 75.84 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.27 1.028 . . . . 74.109999999999999 111.27 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.28 -34.02 87.88 Favored Glycine 0 N--CA 1.472 1.058 0 CA-C-N 115.726 -0.67 . . . . 51.399999999999999 112.365 176.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' TRP . . . . . 0.514 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 21.0 t-105 -77.0 -34.68 57.49 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 123.034 0.533 . . . . 71.329999999999998 110.861 175.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.445 ' HB3' ' CG2' ' B' ' 55' ' ' VAL . 8.0 mp -56.42 -40.64 75.06 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.473 0.709 . . . . 74.040000000000006 111.779 172.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -67.6 -42.41 82.47 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.783 0.833 . . . . 72.430000000000007 112.466 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -18.8 60.89 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 112.181 0.437 . . . . 72.25 112.181 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.559 ' HB2' ' HD2' ' B' ' 54' ' ' LYS . 12.0 mm-40 -91.86 -15.53 28.02 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.673 0.389 . . . . 63.219999999999999 111.642 174.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 56.26 29.55 15.11 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.202 1.001 . . . . 64.349999999999994 111.581 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.559 ' HD2' ' HB2' ' B' ' 52' ' ' GLU . 1.8 ptmm? -86.4 -7.64 58.29 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 114.638 -1.165 . . . . 73.25 110.863 -177.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' B' ' 49' ' ' LEU . 34.8 m -138.35 178.92 3.7 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.224 0 C-N-CA 124.69 1.196 . . . . 63.450000000000003 111.419 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 p -141.96 140.14 30.22 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 124.38 1.072 . . . . 72.019999999999996 110.498 169.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 46.2 p -110.19 134.39 52.27 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.204 1.002 . . . . 62.530000000000001 112.12 -173.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 38.3 t -135.44 170.55 15.76 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.426 1.491 . . . . 72.120000000000005 109.81 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -112.37 107.54 16.39 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.761 0.424 . . . . 64.450000000000003 110.584 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 39.6 t -113.68 117.57 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 124.02 0.928 . . . . 73.099999999999994 110.62 178.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 58.87 37.96 24.66 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 124.928 1.291 . . . . 65.319999999999993 112.94 172.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.1 12.42 84.65 Favored Glycine 0 CA--C 1.537 1.424 0 CA-C-N 115.866 -0.606 . . . . 54.520000000000003 113.834 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -127.2 155.75 42.92 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.745 0.818 . . . . 73.519999999999996 111.107 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 69.2 mt -74.83 111.69 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 C-N-CA 123.418 0.687 . . . . 74.140000000000001 110.168 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -94.65 135.49 36.06 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.71 -0.848 . . . . 74.209999999999994 108.71 169.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 8.8 p -139.36 143.56 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-O 120.834 0.35 . . . . 73.409999999999997 111.015 174.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -146.15 162.55 37.74 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.506 0.722 . . . . 61.439999999999998 110.466 -177.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 17.6 mt -70.56 154.19 42.12 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 120.451 0.167 . . . . 74.340000000000003 110.828 175.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 52.7 t . . . . . 0 CA--C 1.558 1.252 0 C-N-CA 122.644 0.378 . . . . 42.539999999999999 110.141 176.336 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.6 mt . . . . . 0 N--CA 1.496 1.863 0 N-CA-C 113.143 0.794 . . . . 61.240000000000002 113.143 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -64.76 -34.01 77.32 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.699 0.4 . . . . 55.539999999999999 112.069 174.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -62.11 -38.88 90.55 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.289 0.636 . . . . 73.340000000000003 112.435 -170.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.448 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -66.24 -32.3 73.64 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.717 0.407 . . . . 62.240000000000002 111.786 178.616 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.0 -35.0 78.98 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.267 0.627 . . . . 71.150000000000006 111.07 175.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.09 -32.35 63.23 Favored Glycine 0 C--N 1.351 1.392 0 CA-C-N 115.461 -0.791 . . . . 60.25 113.289 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.4 -49.53 68.91 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.332 0.653 . . . . 60.219999999999999 111.08 174.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.493 HD22 HD21 ' A' ' 36' ' ' LEU . 64.9 mt -67.0 -27.01 67.08 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.332 0.653 . . . . 72.519999999999996 111.525 178.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.464 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -59.71 -45.25 92.73 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.261 0.625 . . . . 73.340000000000003 111.59 172.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.07 -32.37 82.07 Favored Glycine 0 CA--C 1.537 1.414 0 CA-C-N 115.618 -0.719 . . . . 41.229999999999997 113.394 175.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -69.43 -48.96 59.32 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.375 0.67 . . . . 74.019999999999996 111.583 177.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.446 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 64.8 mt -69.55 -46.38 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 123.48 0.712 . . . . 63.399999999999999 111.507 -176.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -57.27 -43.04 82.71 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.823 0.849 . . . . 74.129999999999995 110.816 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -59.45 -43.49 93.14 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.532 1.133 . . . . 62.229999999999997 111.015 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.17 -29.1 68.7 Favored 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 123.484 0.714 . . . . 45.549999999999997 112.569 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 61.8 mt -83.79 -25.18 30.67 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.255 0.622 . . . . 64.5 111.518 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -70.27 136.77 50.18 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.749 0.82 . . . . 71.310000000000002 111.61 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.35 9.9 73.73 Favored Glycine 0 N--CA 1.48 1.573 0 CA-C-N 116.195 -0.457 . . . . 54.399999999999999 113.85 -175.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 m -134.44 169.57 17.05 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.859 1.264 . . . . 74.549999999999997 108.322 -177.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -88.22 29.13 0.98 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.767 0.427 . . . . 70.349999999999994 110.68 168.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.431 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 79.86 -175.87 54.85 Favored Glycine 0 C--N 1.344 1.001 0 CA-C-O 121.408 0.449 . . . . 74.340000000000003 113.81 -177.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.6 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 95.7 mt -145.39 164.14 32.41 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.217 1.007 . . . . 61.140000000000001 109.444 -174.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.7 p -78.2 164.86 24.57 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 109.447 -0.575 . . . . 63.240000000000002 109.447 169.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 18.0 pt20 -54.33 -39.48 67.08 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.711 0.404 . . . . 72.230000000000004 110.558 178.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -57.55 -52.16 66.54 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.126 1.37 . . . . 70.5 112.003 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.6 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 17.6 mm-40 -65.72 -34.8 79.04 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.582 0.753 . . . . 64.209999999999994 111.437 -177.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.437 HD11 HD21 ' A' ' 19' ' ' LEU . 97.5 mt -70.56 -41.6 78.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 123.435 0.694 . . . . 73.540000000000006 111.263 177.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 12.2 mmmm -58.77 -39.34 80.73 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.288 0.635 . . . . 72.109999999999999 111.361 177.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -68.7 -41.7 78.75 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.263 -0.88 . . . . 73.219999999999999 111.821 176.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.57 -45.93 70.75 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.524 0.729 . . . . 53.020000000000003 112.357 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.5 p -90.96 -14.88 30.7 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.342 1.057 . . . . 72.430000000000007 112.476 -172.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 66.15 42.0 3.32 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 124.537 1.135 . . . . 53.109999999999999 111.874 174.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.493 HD21 HD22 ' A' ' 11' ' ' LEU . 97.0 mt -83.14 138.0 33.84 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.562 0.345 . . . . 73.329999999999998 111.605 -177.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -66.51 -36.11 81.92 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.973 0.909 . . . . 74.439999999999998 112.533 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.18 152.6 47.53 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.266 0.626 . . . . 70.310000000000002 111.576 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -59.96 -25.58 65.32 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.982 0.913 . . . . 72.450000000000003 111.35 171.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -53.11 -43.74 67.11 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.807 1.243 . . . . 74.5 112.176 172.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -67.97 -34.61 76.88 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.45 0.7 . . . . 71.420000000000002 110.819 178.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -63.81 -36.61 84.48 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 115.413 -0.812 . . . . 70.209999999999994 111.256 173.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -71.28 -34.5 70.72 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 122.566 0.347 . . . . 63.329999999999998 111.744 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -71.07 -42.49 69.33 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.247 0.619 . . . . 63.229999999999997 111.047 175.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.19 -53.91 23.48 Favored Glycine 0 CA--C 1.537 1.445 0 CA-C-N 116.417 -0.356 . . . . 62.329999999999998 112.969 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.1 tp -62.03 -30.39 70.94 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.267 1.027 . . . . 61.229999999999997 111.644 176.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.34 -30.92 75.44 Favored Glycine 0 N--CA 1.475 1.237 0 CA-C-N 116.007 -0.542 . . . . 71.450000000000003 112.712 174.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.49 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 2.3 t-105 -76.91 -36.06 56.93 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 123.154 0.582 . . . . 70.109999999999999 110.694 174.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.506 HD23 HG11 ' A' ' 55' ' ' VAL . 7.5 mp -63.46 -31.77 73.02 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.069 0.547 . . . . 73.340000000000003 111.391 173.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 tt -76.5 -42.92 41.7 Favored 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 123.376 0.671 . . . . 75.140000000000001 109.722 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.666 ' HB2' ' HB3' ' B' ' 51' ' ' ARG . 9.1 ptp180 -60.64 -33.06 72.24 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 113.817 1.043 . . . . 74.310000000000002 113.817 -172.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -102.39 0.87 34.63 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.103 0.561 . . . . 73.329999999999998 112.066 178.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.7 t70 62.54 44.3 7.08 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 122.436 1.113 . . . . 72.439999999999998 110.503 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -76.61 -32.62 58.17 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 114.586 -1.188 . . . . 64.340000000000003 110.703 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.506 HG11 HD23 ' A' ' 49' ' ' LEU . 29.8 m -132.5 173.44 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.41 0.684 . . . . 73.239999999999995 112.302 -173.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -122.2 138.57 51.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 C-N-CA 124.827 1.251 . . . . 51.43 109.548 170.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.429 ' HA ' HG12 ' A' ' 66' ' ' VAL . 46.8 p -101.72 136.27 41.84 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.751 0.821 . . . . 43.310000000000002 111.819 -175.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.1 t -146.66 172.23 13.92 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.787 1.235 . . . . 70.349999999999994 109.685 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.88 121.64 33.77 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 121.668 0.747 . . . . 63.229999999999997 111.046 173.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.9 t -105.22 111.04 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.506 0.722 . . . . 64.150000000000006 109.795 172.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 58.89 41.79 20.7 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.627 1.171 . . . . 73.510000000000005 112.869 172.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.68 7.24 88.77 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 115.463 -0.789 . . . . 73.430000000000007 114.629 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -119.46 151.2 38.95 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.454 0.701 . . . . 75.430000000000007 110.744 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 74.4 mt -69.8 129.57 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 122.845 0.458 . . . . 75.340000000000003 110.278 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -132.0 122.03 24.86 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.4 1.08 . . . . 70.319999999999993 109.143 177.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.429 HG12 ' HA ' ' A' ' 57' ' ' THR . 28.9 m -128.67 151.26 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.045 0.538 . . . . 71.530000000000001 111.356 -179.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.431 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 62.5 pttt -155.32 162.02 40.94 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 122.929 0.492 . . . . 75.209999999999994 110.923 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.498 HD23 HG12 ' A' ' 55' ' ' VAL . 35.4 mt -63.25 145.73 54.91 Favored 'General case' 0 CA--C 1.557 1.215 0 CA-C-O 120.897 0.38 . . . . 64.430000000000007 111.663 -179.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 0 N--CA 1.489 1.513 0 C-N-CA 123.898 0.879 . . . . 73.450000000000003 111.592 179.645 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . 0.481 ' HG3' ' HB3' ' B' ' 5' ' ' LYS . 20.6 ptm . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.881 0.372 . . . . 71.109999999999999 111.993 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.41 -17.17 64.16 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 123.703 0.801 . . . . 60.039999999999999 111.945 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.481 ' HB3' ' HG3' ' B' ' 3' ' ' MET . 88.4 tttt -66.89 -30.7 70.93 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.991 0.916 . . . . 73.400000000000006 111.732 172.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -62.25 -51.88 65.97 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.443 0.697 . . . . 73.140000000000001 111.621 -177.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -31.26 72.37 Favored 'General case' 0 CA--C 1.555 1.148 0 O-C-N 123.225 0.328 . . . . 63.439999999999998 111.866 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.27 -50.71 66.85 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 120.905 0.383 . . . . 71.219999999999999 111.909 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.26 -35.57 52.53 Favored Glycine 0 CA--C 1.539 1.551 0 N-CA-C 114.772 0.669 . . . . 72.120000000000005 114.772 -176.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.07 -50.03 57.66 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.149 0.58 . . . . 70.219999999999999 112.414 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.566 HD22 HD21 ' B' ' 36' ' ' LEU . 82.4 mt -62.41 -24.81 67.6 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 123.175 0.59 . . . . 74.430000000000007 111.919 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.96 -36.92 68.35 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.009 0.924 . . . . 55.509999999999998 112.414 174.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.32 -49.02 83.17 Favored Glycine 0 CA--C 1.538 1.482 0 CA-C-N 116.08 -0.509 . . . . 73.439999999999998 113.524 175.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -64.62 -43.72 92.84 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.724 0.81 . . . . 63.32 111.72 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.486 HD12 ' HA3' ' B' ' 45' ' ' GLY . 77.7 mt -63.79 -39.73 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 123.629 0.772 . . . . 73.120000000000005 111.243 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' TRP . . . . . 0.401 ' CD1' ' HD3' ' B' ' 54' ' ' LYS . 87.0 t90 -58.38 -49.36 77.53 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.0 0.52 . . . . 63.109999999999999 110.95 174.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.6 -33.97 74.83 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.799 0.84 . . . . 73.540000000000006 112.261 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.74 81.54 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.193 0.597 . . . . 42.149999999999999 111.59 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.597 HD23 ' HA ' ' B' ' 67' ' ' LYS . 7.5 mp -96.59 -10.75 26.49 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.539 0.736 . . . . 60.350000000000001 112.311 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -60.64 122.49 14.86 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.244 0.617 . . . . 65.329999999999998 111.644 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.01 22.07 77.07 Favored Glycine 0 CA--C 1.539 1.586 0 CA-C-N 116.521 -0.309 . . . . 62.409999999999997 113.512 -177.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.662 HG22 ' H ' ' B' ' 24' ' ' GLY . 27.3 m -121.01 147.08 45.99 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.761 0.824 . . . . 73.450000000000003 111.258 -176.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.68 -17.42 64.07 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 125.04 1.336 . . . . 43.130000000000003 113.114 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.662 ' H ' HG22 ' B' ' 22' ' ' THR . . . 129.12 149.69 6.92 Favored Glycine 0 C--N 1.348 1.24 0 C-N-CA 123.161 0.41 . . . . 63.109999999999999 113.02 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 90.3 mt -136.52 159.22 42.44 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.681 0.792 . . . . 54.210000000000001 110.774 -177.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 69.8 p -97.88 169.11 9.88 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.602 0.761 . . . . 73.439999999999998 110.515 170.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -55.81 -33.63 64.61 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 113.373 0.879 . . . . 61.5 113.373 -173.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.09 -48.32 82.24 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.833 0.853 . . . . 74.430000000000007 112.024 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -70.13 -37.57 75.31 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 115.518 -0.764 . . . . 75.230000000000004 111.561 -177.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.456 HG21 HG23 ' B' ' 15' ' ' ILE . 51.1 mt -73.5 -46.58 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 123.167 0.587 . . . . 74.430000000000007 111.663 -177.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -61.74 -34.53 75.99 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 122.636 0.374 . . . . 72.019999999999996 111.11 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -70.53 -40.62 73.36 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.318 0.647 . . . . 74.409999999999997 110.765 176.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.92 -35.55 78.63 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.589 0.756 . . . . 64.450000000000003 112.324 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 72.0 p -93.13 -9.39 39.62 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.125 0.97 . . . . 74.340000000000003 112.364 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 64.1 mttm 71.18 19.86 5.31 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 125.31 1.444 . . . . 75.319999999999993 111.969 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.566 HD21 HD22 ' B' ' 11' ' ' LEU . 89.4 mt -76.87 110.2 11.29 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.475 0.71 . . . . 74.409999999999997 110.012 175.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -67.72 -46.39 72.33 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.887 0.875 . . . . 73.439999999999998 110.752 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.6 132.36 36.38 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.223 0.609 . . . . 71.200000000000003 111.195 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.31 -24.71 64.87 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.077 0.951 . . . . 74.439999999999998 112.237 178.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -63.55 -34.48 77.89 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.799 0.84 . . . . 51.109999999999999 111.867 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.456 ' HB3' HD13 ' B' ' 11' ' ' LEU . 2.0 m-20 -65.69 -37.8 87.47 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.945 0.898 . . . . 73.200000000000003 110.785 173.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -66.15 -46.75 76.33 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 115.44 -0.8 . . . . 74.120000000000005 111.533 174.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -62.38 -36.77 83.33 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 112.464 0.542 . . . . 72.319999999999993 112.464 -175.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.12 -37.17 64.2 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.248 0.619 . . . . 54.119999999999997 111.581 176.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . 0.486 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -67.3 -54.82 18.28 Favored Glycine 0 CA--C 1.541 1.664 0 O-C-N 123.108 0.255 . . . . 53.32 112.815 177.247 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.466 HD21 HG11 ' B' ' 66' ' ' VAL . 53.4 tp -57.83 -34.04 69.27 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.47 1.108 . . . . 70.319999999999993 111.743 172.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.57 -31.74 80.87 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-N 115.948 -0.569 . . . . 60.210000000000001 112.495 175.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' TRP . . . . . 0.508 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 15.7 t-105 -76.65 -29.98 56.63 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 123.405 0.682 . . . . 74.219999999999999 110.967 174.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.33 -30.86 71.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.84 -0.537 . . . . 73.430000000000007 110.853 170.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.577 ' HB3' HH12 ' A' ' 51' ' ' ARG . 88.2 mt -74.74 -36.16 62.63 Favored 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 123.82 0.848 . . . . 53.229999999999997 112.732 178.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.666 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -70.84 -25.97 63.07 Favored 'General case' 0 N--CA 1.503 2.208 0 CA-C-N 118.292 0.496 . . . . 75.209999999999994 112.015 174.405 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -88.89 -8.54 54.06 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.946 -0.57 . . . . 53.130000000000003 110.869 173.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 p30 51.84 24.6 2.58 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 126.261 1.824 . . . . 72.439999999999998 112.789 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.401 ' HD3' ' CD1' ' B' ' 16' ' ' TRP . 0.1 OUTLIER -84.38 7.86 18.13 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.799 0.839 . . . . 73.219999999999999 112.17 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.8 m -135.68 163.95 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 C-N-CA 123.563 0.745 . . . . 72.030000000000001 111.357 169.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 14.1 m -122.67 139.91 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.894 0.878 . . . . 75.319999999999993 110.815 170.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 62.1 p -103.01 132.84 48.98 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.76 0.824 . . . . 71.150000000000006 111.292 -178.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 34.1 t -141.97 158.77 43.38 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.159 0.984 . . . . 72.340000000000003 109.053 176.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -110.11 108.39 18.55 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.11 0.481 . . . . 73.519999999999996 110.41 -177.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.447 HG12 ' HG3' ' B' ' 61' ' ' GLU . 93.0 t -107.99 111.65 36.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.81 0.844 . . . . 72.420000000000002 109.036 175.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . 0.447 ' HG3' HG12 ' B' ' 60' ' ' VAL . 26.3 mt-10 61.83 32.26 18.12 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.984 1.313 . . . . 73.349999999999994 112.026 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.25 -26.39 10.31 Favored Glycine 0 CA--C 1.539 1.54 0 CA-C-N 116.411 -0.358 . . . . 75.349999999999994 113.952 -174.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -81.42 153.94 26.66 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.643 0.777 . . . . 74.400000000000006 112.972 -177.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 63.0 mt -77.43 114.99 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.761 0.824 . . . . 72.430000000000007 110.178 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -111.89 122.22 47.19 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.093 0.957 . . . . 60.119999999999997 108.995 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.466 HG11 HD21 ' B' ' 46' ' ' LEU . 16.7 m -128.32 154.12 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.256 0.622 . . . . 74.319999999999993 111.492 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.597 ' HA ' HD23 ' B' ' 19' ' ' LEU . 20.9 pttp -154.46 153.21 31.15 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 115.973 -0.558 . . . . 74.299999999999997 110.36 176.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.6 145.69 55.21 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 120.946 0.403 . . . . 75.129999999999995 111.708 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 CA--C 1.543 0.677 0 N-CA-C 108.919 -0.771 . . . . 75.530000000000001 108.919 171.136 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.1 mtm . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 121.087 0.47 . . . . 71.239999999999995 110.318 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -111.02 109.57 19.73 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.121 0.968 . . . . 34.329999999999998 110.071 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.2 mmt -83.46 147.99 27.51 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.015 0.926 . . . . 71.420000000000002 113.408 -173.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.94 -14.14 20.63 Favored 'General case' 0 CA--C 1.564 1.481 0 CA-C-N 114.615 -1.175 . . . . 74.239999999999995 112.031 168.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -65.96 -44.27 85.47 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.727 0.811 . . . . 64.450000000000003 111.727 173.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -61.6 -41.61 97.68 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.483 0.713 . . . . 74.129999999999995 110.874 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 57.2 tttm -55.67 -53.66 53.86 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 114.591 -1.186 . . . . 74.439999999999998 111.169 169.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.11 -29.64 67.52 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.405 1.082 . . . . 23.34 112.809 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.86 -36.54 52.44 Favored Glycine 0 CA--C 1.536 1.376 0 CA-C-N 115.845 -0.616 . . . . 73.120000000000005 113.519 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.55 -39.09 81.23 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.465 0.706 . . . . 73.200000000000003 110.997 174.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.423 HD22 ' HB3' ' A' ' 41' ' ' ASP . 70.8 mt -64.01 -41.16 97.55 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.883 0.873 . . . . 73.409999999999997 110.726 174.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.33 -42.08 86.02 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.55 0.74 . . . . 62.420000000000002 112.557 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.29 -54.34 38.72 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-N 115.652 -0.704 . . . . 31.23 113.741 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -67.97 -33.77 75.28 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 112.629 0.603 . . . . 63.130000000000003 112.629 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.501 HD12 ' HA3' ' A' ' 45' ' ' GLY . 87.5 mt -68.99 -43.18 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 C-N-CA 122.824 0.449 . . . . 74.109999999999999 111.003 176.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -59.88 -44.46 94.19 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 122.988 0.515 . . . . 75.140000000000001 111.082 174.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.31 -26.7 66.65 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.567 0.747 . . . . 75.519999999999996 112.328 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.46 -36.31 68.47 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.165 0.586 . . . . 61.409999999999997 111.317 173.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.1 mt -83.11 -15.7 49.75 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.705 0.802 . . . . 75.129999999999995 111.835 176.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -79.73 128.32 33.27 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.053 0.941 . . . . 75.209999999999994 109.396 173.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.24 -2.7 71.7 Favored Glycine 0 CA--C 1.541 1.7 0 N-CA-C 113.941 0.336 . . . . 50.030000000000001 113.941 -177.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.6 t -129.99 165.26 22.51 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.611 0.764 . . . . 72.310000000000002 110.734 175.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -93.31 -0.11 56.78 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 112.266 0.469 . . . . 72.230000000000004 112.266 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.32 140.18 3.65 Favored Glycine 0 C--N 1.352 1.42 0 N-CA-C 113.924 0.33 . . . . 62.409999999999997 113.924 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.0 mt -134.01 154.16 51.32 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.259 1.024 . . . . 71.209999999999994 109.928 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.526 ' HB ' ' HB3' ' A' ' 63' ' ' GLU . 38.0 p -92.28 173.24 7.92 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 110.005 -0.368 . . . . 71.400000000000006 110.005 171.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -51.03 -41.76 60.04 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 113.279 0.844 . . . . 71.319999999999993 113.279 -171.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.7 mttp -65.21 -43.49 91.37 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 112.773 0.657 . . . . 75.040000000000006 112.773 177.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -73.67 -31.95 63.73 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 112.189 0.44 . . . . 72.099999999999994 112.189 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.7 mt -67.06 -53.24 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.726 0.41 . . . . 74.340000000000003 110.205 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -62.96 -26.43 68.83 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 111.695 0.257 . . . . 74.540000000000006 111.695 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -66.79 -52.27 45.91 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.786 0.835 . . . . 75.439999999999998 110.452 174.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.72 -26.23 61.51 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 113.084 0.772 . . . . 72.409999999999997 113.084 -176.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.4 p -87.57 -17.8 31.17 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.975 0.91 . . . . 73.219999999999999 113.171 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HA ' ' HE3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER 72.25 19.34 4.46 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 124.725 1.21 . . . . 63.509999999999998 112.175 -172.272 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.505 HD22 ' HB2' ' A' ' 41' ' ' ASP . 73.5 mt -63.31 116.72 5.75 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.572 0.349 . . . . 72.319999999999993 110.675 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -68.26 -31.45 70.93 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.139 0.576 . . . . 44.020000000000003 110.857 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.51 147.72 47.26 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.754 0.822 . . . . 61.229999999999997 112.187 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -59.79 -24.02 63.78 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 125.268 1.427 . . . . 71.299999999999997 112.703 171.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -51.42 -44.17 62.21 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 124.611 1.164 . . . . 72.019999999999996 111.837 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.505 ' HB2' HD22 ' A' ' 36' ' ' LEU . 4.2 m-20 -74.63 -31.15 61.89 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.589 -1.187 . . . . 70.319999999999993 111.447 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -60.34 -43.55 96.35 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.58 0.752 . . . . 75.510000000000005 111.368 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -64.79 -42.77 94.8 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.191 0.597 . . . . 62.240000000000002 112.504 -176.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 mp -66.75 -47.68 71.49 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 123.156 0.582 . . . . 73.209999999999994 111.645 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.514 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -64.81 -45.86 91.36 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.242 -0.435 . . . . 55.140000000000001 113.103 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.2 tp -57.84 -41.3 82.02 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.252 1.021 . . . . 75.409999999999997 112.006 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.06 -31.23 80.01 Favored Glycine 0 N--CA 1.475 1.294 0 CA-C-N 115.249 -0.887 . . . . 73.5 112.423 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.486 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 22.3 t-105 -75.39 -28.07 59.32 Favored 'General case' 0 CA--C 1.562 1.439 0 C-N-CA 124.257 1.023 . . . . 73.340000000000003 111.578 177.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 45' ' ' GLY . 5.6 mp -73.24 -34.35 65.82 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.762 -0.586 . . . . 43.229999999999997 110.386 172.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.5 mt -67.79 -37.62 82.26 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.89 0.876 . . . . 73.239999999999995 111.868 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.625 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 8.5 ptt180 -61.73 -39.45 91.61 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 120.943 0.402 . . . . 64.319999999999993 111.756 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.625 ' HG3' ' HG3' ' A' ' 51' ' ' ARG . 53.1 mt-10 -93.36 -3.0 54.15 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.98 0.912 . . . . 73.030000000000001 111.966 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 64.39 27.51 13.64 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.102 0.961 . . . . 71.040000000000006 112.467 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -75.65 -20.7 58.3 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.344 0.658 . . . . 61.420000000000002 111.42 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.56 HG12 HD23 ' A' ' 68' ' ' LEU . 27.5 m -135.58 166.43 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-O 121.49 0.662 . . . . 63.020000000000003 111.959 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.3 p -127.41 134.0 66.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 124.438 1.095 . . . . 61.520000000000003 108.951 173.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.609 HG22 HG22 ' A' ' 66' ' ' VAL . 40.2 p -118.54 137.46 53.2 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.593 0.757 . . . . 72.430000000000007 111.14 -173.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -158.98 164.68 35.35 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.695 0.798 . . . . 75.329999999999998 110.082 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -95.57 129.92 42.6 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.359 0.6 . . . . 72.450000000000003 111.122 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.3 t -130.01 110.49 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.455 1.102 . . . . 72.319999999999993 108.425 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 55.83 31.95 18.65 Favored 'General case' 0 CA--C 1.566 1.582 0 C-N-CA 124.916 1.286 . . . . 74.219999999999999 113.556 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.36 -7.33 80.42 Favored Glycine 0 N--CA 1.481 1.667 0 N-CA-C 114.611 0.604 . . . . 42.210000000000001 114.611 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.526 ' HB3' ' HB ' ' A' ' 26' ' ' THR . 18.5 mm-40 -91.57 141.77 28.36 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.886 0.874 . . . . 72.510000000000005 112.065 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.9 mt -75.63 96.38 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.051 0 N-CA-C 109.513 -0.551 . . . . 71.209999999999994 109.513 168.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -86.37 119.41 26.61 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.793 0.837 . . . . 65.340000000000003 110.152 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.609 HG22 HG22 ' A' ' 57' ' ' THR . 22.0 t -125.27 144.99 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.637 0.775 . . . . 74.439999999999998 110.662 -176.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -158.21 155.16 28.51 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.665 0.386 . . . . 63.32 111.198 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.56 HD23 HG12 ' A' ' 55' ' ' VAL . 67.9 mt -63.37 140.78 58.91 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 122.676 0.39 . . . . 74.549999999999997 111.434 177.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.7 t -68.82 98.99 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 CA-C-O 121.345 0.593 . . . . 51.32 111.221 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.3 mt -103.14 -31.32 10.2 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.699 0.8 . . . . 73.430000000000007 110.158 174.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -157.79 159.32 36.62 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.719 0.808 . . . . 72.450000000000003 110.187 -174.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 -72.5 146.17 47.01 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.051 0.54 . . . . 71.400000000000006 111.767 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -138.13 124.96 21.11 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.317 0.647 . . . . 74.200000000000003 112.142 -175.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -102.95 24.56 10.55 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.682 0.793 . . . . 71.340000000000003 111.653 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -69.5 81.96 0.4 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.36 0.664 . . . . 74.329999999999998 109.708 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -82.44 88.23 6.61 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-O 121.819 0.818 . . . . 65.299999999999997 111.318 -173.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 . . . . . 0 N--CA 1.479 0.997 0 CA-C-N 115.528 -0.76 . . . . 73.420000000000002 110.191 -175.213 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.0 tpp . . . . . 0 CA--C 1.55 0.953 0 CA-C-O 120.922 0.391 . . . . 52.340000000000003 110.698 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -76.21 100.15 4.96 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 121.392 0.615 . . . . 44.219999999999999 110.933 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 71.2 mtm -100.8 167.48 10.27 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.838 0.855 . . . . 64.409999999999997 111.736 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.403 ' HA ' ' HG3' ' B' ' 7' ' ' LYS . 7.3 mp -71.29 -15.38 62.42 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.25 0.62 . . . . 54.299999999999997 111.693 172.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -74.07 -38.03 64.06 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.071 0.462 . . . . 74.319999999999993 110.342 167.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -67.08 -40.1 86.94 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.742 -0.663 . . . . 75.030000000000001 111.693 -175.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.403 ' HG3' ' HA ' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -72.12 -27.23 62.5 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 111.835 0.309 . . . . 74.319999999999993 111.835 175.343 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.06 -45.2 89.85 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.071 0.548 . . . . 62.409999999999997 110.766 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.36 -40.25 94.5 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 115.216 -0.902 . . . . 71.209999999999994 113.46 174.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.56 85.7 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.483 0.713 . . . . 61.039999999999999 112.318 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.48 ' O ' HG12 ' B' ' 15' ' ' ILE . 97.0 mt -65.07 -31.78 73.16 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.232 0.613 . . . . 74.540000000000006 112.386 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.424 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -54.2 -30.41 49.61 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 113.086 0.773 . . . . 73.349999999999994 113.086 -177.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.99 -53.28 44.08 Favored Glycine 0 CA--C 1.538 1.515 0 CA-C-N 116.003 -0.544 . . . . 51.030000000000001 114.023 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -74.44 -32.26 62.56 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 112.603 0.594 . . . . 73.340000000000003 112.603 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.48 HG12 ' O ' ' B' ' 11' ' ' LEU . 43.1 mm -63.54 -44.35 98.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 C-N-CA 122.938 0.495 . . . . 74.120000000000005 109.771 174.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -60.17 -44.38 95.07 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 115.3 -0.863 . . . . 70.140000000000001 111.571 172.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.14 -33.51 73.52 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 112.885 0.698 . . . . 71.030000000000001 112.885 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.87 -36.01 82.23 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-O 120.868 0.366 . . . . 74.129999999999995 111.215 174.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.535 HD21 HD11 ' B' ' 30' ' ' ILE . 98.1 mt -81.1 -19.78 42.88 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.628 0.771 . . . . 63.219999999999999 112.557 176.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -67.84 121.82 16.82 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.712 0.805 . . . . 71.439999999999998 111.133 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.46 8.3 85.15 Favored Glycine 0 CA--C 1.538 1.489 0 N-CA-C 114.458 0.543 . . . . 70.230000000000004 114.458 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 31.7 p -118.54 167.57 11.48 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 117.464 0.632 . . . . 71.049999999999997 111.6 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -81.67 12.0 4.27 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.224 1.01 . . . . 72.409999999999997 111.399 171.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.2 148.13 18.28 Favored Glycine 0 C--N 1.345 1.061 0 C-N-CA 123.512 0.577 . . . . 52.450000000000003 112.277 -171.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.457 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 67.5 mt -128.51 160.55 31.98 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.703 0.801 . . . . 73.109999999999999 110.164 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 46.3 p -83.47 169.92 15.0 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.975 -0.557 . . . . 74.200000000000003 110.716 172.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -55.78 -41.05 73.49 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.604 0.761 . . . . 74.349999999999994 112.71 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -72.66 -36.19 67.9 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.948 0.899 . . . . 72.099999999999994 112.598 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.457 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 52.6 mt-30 -66.46 -41.39 89.12 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.722 0.409 . . . . 75.530000000000001 111.105 177.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.535 HD11 HD21 ' B' ' 19' ' ' LEU . 70.3 mt -66.93 -49.81 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 123.151 0.58 . . . . 72.239999999999995 110.855 174.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -54.74 -39.24 68.08 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 124.46 1.104 . . . . 61.130000000000003 112.266 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -66.63 -48.64 68.83 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.078 0.951 . . . . 70.140000000000001 110.941 175.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.93 -27.61 66.77 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.591 0.757 . . . . 64.109999999999999 112.622 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.471 HG21 HD13 ' B' ' 15' ' ' ILE . 72.9 p -94.55 -13.96 25.51 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.829 0.852 . . . . 73.049999999999997 112.732 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 60.1 tttp 70.74 29.45 3.2 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 124.58 1.152 . . . . 62.32 111.535 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 73.0 mt -74.29 124.42 26.41 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 121.453 -0.779 . . . . 72.450000000000003 110.654 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -75.03 -49.02 21.18 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.929 0.892 . . . . 73.510000000000005 110.798 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.76 136.26 43.79 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.111 0.965 . . . . 63.439999999999998 110.546 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -68.34 -23.93 64.75 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.788 0.835 . . . . 73.519999999999996 111.925 176.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -52.82 -32.91 46.69 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.199 1.0 . . . . 65.109999999999999 112.452 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -73.99 -35.41 64.45 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 124.301 1.04 . . . . 75.030000000000001 111.491 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.81 -42.48 75.72 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.948 0.899 . . . . 75.510000000000005 112.101 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -62.64 -33.91 75.99 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.389 0.676 . . . . 64.430000000000007 112.325 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -73.47 -36.7 65.89 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 123.303 0.641 . . . . 71.340000000000003 111.184 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . 0.447 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -69.12 -50.09 36.19 Favored Glycine 0 CA--C 1.538 1.519 0 CA-C-N 116.526 -0.306 . . . . 74.120000000000005 112.491 174.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.15 -36.32 77.28 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.824 1.249 . . . . 73.329999999999998 111.823 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.35 -31.12 79.81 Favored Glycine 0 N--CA 1.473 1.155 0 CA-C-N 115.502 -0.772 . . . . 51.5 112.585 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' TRP . . . . . 0.424 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 10.7 t-105 -75.83 -28.22 58.18 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 123.716 0.807 . . . . 72.329999999999998 111.196 176.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.543 HD23 HG11 ' B' ' 55' ' ' VAL . 6.5 mp -70.56 -36.73 73.79 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.229 0.612 . . . . 75.099999999999994 110.639 171.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.509 HD21 HG23 ' B' ' 57' ' ' THR . 86.4 mt -71.47 -37.48 71.34 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.843 0.857 . . . . 53.119999999999997 112.171 177.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.623 ' HG3' ' HG3' ' B' ' 52' ' ' GLU . 5.9 ptt180 -59.76 -36.03 75.81 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 112.142 0.423 . . . . 74.430000000000007 112.142 -178.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.623 ' HG3' ' HG3' ' B' ' 51' ' ' ARG . 45.5 mt-10 -101.74 -2.26 30.58 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.747 0.819 . . . . 73.120000000000005 111.905 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 34.5 t70 64.18 27.8 14.0 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 124.28 1.032 . . . . 72.230000000000004 111.802 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.49 ' HE3' ' HB2' ' B' ' 52' ' ' GLU . 16.2 ptpt -82.34 0.2 42.83 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 121.33 -0.856 . . . . 73.200000000000003 111.695 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.543 HG11 HD23 ' B' ' 49' ' ' LEU . 28.9 m -136.12 163.91 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 123.925 0.89 . . . . 71.420000000000002 112.672 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.412 HG13 HG23 ' B' ' 69' ' ' VAL . 15.9 m -116.17 136.04 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.918 1.287 . . . . 73.540000000000006 110.803 168.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . 0.509 HG23 HD21 ' B' ' 50' ' ' LEU . 17.0 p -103.82 148.17 26.43 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.545 0.688 . . . . 74.430000000000007 112.75 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 67.9 m -149.08 171.31 16.63 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.744 1.617 . . . . 72.030000000000001 109.312 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -122.67 123.94 42.28 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 122.057 -0.402 . . . . 73.329999999999998 109.931 172.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 64.7 t -110.28 108.09 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.529 0.732 . . . . 62.32 109.332 172.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 57.7 36.03 26.2 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.984 1.313 . . . . 51.310000000000002 113.42 172.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.95 7.89 83.19 Favored Glycine 0 N--CA 1.48 1.628 0 N-CA-C 114.584 0.593 . . . . 64.349999999999994 114.584 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -117.92 147.33 43.23 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.678 0.791 . . . . 72.0 110.024 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 61.6 mt -71.11 122.35 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 122.638 0.375 . . . . 52.409999999999997 110.841 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -114.24 134.33 55.0 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 108.682 -0.859 . . . . 54.310000000000002 108.682 170.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.2 149.11 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 122.86 0.464 . . . . 61.140000000000001 110.715 176.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -138.23 158.67 43.84 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.073 0.949 . . . . 72.510000000000005 108.877 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 78.8 mt -67.0 144.34 56.26 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 119.102 0.864 . . . . 73.310000000000002 110.911 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.412 HG23 HG13 ' B' ' 56' ' ' VAL . 6.7 p -74.43 1.96 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 C-N-CA 123.775 0.83 . . . . 75.230000000000004 112.961 -174.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 84.0 mt -54.64 -54.18 44.92 Favored 'General case' 0 CA--C 1.56 1.339 0 C-N-CA 124.797 1.239 . . . . 75.019999999999996 113.536 -171.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -149.74 -172.28 4.11 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 122.737 0.415 . . . . 75.230000000000004 111.706 -176.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -136.2 76.43 1.6 Allowed 'General case' 0 CA--C 1.566 1.585 0 N-CA-C 113.687 0.995 . . . . 75.109999999999999 113.687 -174.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -75.73 76.66 2.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.638 -0.664 . . . . 75.329999999999998 110.098 163.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -88.64 91.16 8.7 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-O 121.281 0.563 . . . . 71.219999999999999 110.588 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -109.49 133.78 52.68 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.095 0.958 . . . . 73.109999999999999 109.258 171.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 64.11 -161.16 0.29 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 124.064 0.946 . . . . 74.340000000000003 111.048 -173.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 13.5 t60 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 121.463 0.649 . . . . 62.399999999999999 110.847 -179.703 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.419 ' HG2' ' HG3' ' A' ' 6' ' ' GLU . 56.6 ttm . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 119.529 -0.272 . . . . 53.240000000000002 111.702 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -61.33 95.15 0.04 OUTLIER 'General case' 0 CA--C 1.562 1.425 0 CA-C-O 121.195 0.521 . . . . 62.020000000000003 111.707 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 61.9 mtm -134.25 165.02 26.07 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 124.632 1.173 . . . . 53.219999999999999 110.457 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.13 -31.32 68.84 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 122.682 0.393 . . . . 55.509999999999998 111.276 174.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -60.35 -50.16 74.72 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.592 1.157 . . . . 62.409999999999997 111.842 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.419 ' HG3' ' HG2' ' A' ' 1' ' ' MET . 10.6 tm-20 -74.22 -50.56 18.61 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.982 0.913 . . . . 73.310000000000002 112.123 -170.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -59.18 -32.62 70.08 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.297 0.48 . . . . 64.239999999999995 112.297 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.5 -32.87 65.45 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.095 0.558 . . . . 64.140000000000001 111.497 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.19 -38.14 47.37 Favored Glycine 0 CA--C 1.536 1.353 0 CA-C-N 115.715 -0.675 . . . . 34.340000000000003 113.681 175.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.77 -49.79 60.54 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.167 0.587 . . . . 74.209999999999994 111.451 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.0 mt -58.33 -38.9 78.07 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.296 1.038 . . . . 74.140000000000001 111.038 174.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.572 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -57.23 -45.99 83.39 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.782 0.66 . . . . 42.009999999999998 112.782 177.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -52.86 50.62 Favored Glycine 0 C--N 1.345 1.039 0 CA-C-N 115.655 -0.702 . . . . 71.040000000000006 113.611 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -68.42 -33.18 73.75 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 112.877 0.695 . . . . 74.140000000000001 112.877 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.442 HD12 ' HA3' ' A' ' 45' ' ' GLY . 84.2 mt -66.92 -49.63 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 122.515 0.326 . . . . 63.409999999999997 111.03 175.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.422 ' NE1' ' HB3' ' A' ' 54' ' ' LYS . 84.6 t90 -61.36 -44.51 97.04 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.062 0.545 . . . . 75.329999999999998 111.709 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -62.0 -32.7 73.2 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.2 0.6 . . . . 75.040000000000006 112.186 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.57 -31.35 62.04 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.995 0.518 . . . . 75.329999999999998 111.591 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.7 mt -75.2 -25.98 58.63 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.612 0.765 . . . . 64.420000000000002 111.864 173.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -74.29 139.07 43.99 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 121.038 0.447 . . . . 72.019999999999996 112.038 -173.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.44 -1.06 81.53 Favored Glycine 0 C--N 1.346 1.134 0 CA-C-N 115.725 -0.671 . . . . 55.119999999999997 113.055 -175.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 p -126.63 178.85 5.64 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.257 0.623 . . . . 64.430000000000007 110.376 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -82.31 2.55 31.61 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 112.574 0.583 . . . . 71.549999999999997 112.574 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.442 ' HA3' ' HA ' ' A' ' 67' ' ' LYS . . . 98.68 144.1 16.13 Favored Glycine 0 C--N 1.35 1.306 0 CA-C-O 120.194 -0.225 . . . . 22.120000000000001 112.629 -170.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.538 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 3.1 mm? -116.82 163.96 15.38 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 117.582 0.691 . . . . 72.409999999999997 112.061 -173.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.3 p -81.39 165.4 21.35 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 115.699 -0.682 . . . . 74.310000000000002 110.154 172.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -52.67 -41.01 63.45 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.139 0.576 . . . . 73.030000000000001 111.763 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -60.25 -52.18 66.4 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.483 0.713 . . . . 72.129999999999995 112.665 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 16.6 mm-40 -66.48 -36.26 82.31 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.166 0.587 . . . . 73.329999999999998 112.366 -176.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.4 mt -65.18 -43.03 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.18 0.592 . . . . 72.109999999999999 110.45 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -68.47 -26.61 65.58 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.798 0.839 . . . . 61.25 111.316 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -70.33 -54.34 12.95 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.262 0.625 . . . . 73.099999999999994 111.103 168.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.23 -35.72 78.01 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.941 0.896 . . . . 62.420000000000002 113.392 -174.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.6 p -102.63 -12.46 17.7 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.643 0.777 . . . . 54.399999999999999 112.083 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt 50.34 41.22 24.28 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 126.152 1.781 . . . . 73.120000000000005 113.857 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.61 137.24 56.6 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 114.89 -1.05 . . . . 74.510000000000005 111.654 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -69.28 -60.37 2.39 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.695 0.798 . . . . 71.129999999999995 110.406 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.86 148.92 21.8 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.171 -0.922 . . . . 60.020000000000003 110.79 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -61.2 -27.31 68.34 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 115.547 -0.751 . . . . 60.310000000000002 110.879 164.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -61.33 -29.02 69.63 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.152 0.981 . . . . 64.010000000000005 112.468 175.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -64.46 -40.29 95.42 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 120.921 0.391 . . . . 70.230000000000004 110.288 173.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -68.3 -36.47 79.4 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.6 -0.727 . . . . 55.229999999999997 111.317 176.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -69.19 -38.3 78.57 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 112.678 0.622 . . . . 72.140000000000001 112.678 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mp -70.42 -42.4 71.64 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 122.614 0.366 . . . . 62.140000000000001 110.909 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.449 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -61.94 -54.51 34.56 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-N 116.308 -0.406 . . . . 73.409999999999997 113.342 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 64.0 tp -61.54 -32.43 72.49 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.02 0.928 . . . . 75.120000000000005 111.751 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.02 -33.16 86.49 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 121.243 0.357 . . . . 71.109999999999999 112.463 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.572 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 21.7 t-105 -77.71 -35.42 52.06 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 122.993 0.517 . . . . 72.239999999999995 110.622 173.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.681 HD23 HG11 ' A' ' 55' ' ' VAL . 6.2 mp -56.77 -33.7 66.87 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.898 -0.501 . . . . 63.240000000000002 111.635 172.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.451 ' O ' ' HE3' ' B' ' 5' ' ' LYS . 93.2 mt -66.74 -43.39 84.28 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 123.362 0.665 . . . . 45.350000000000001 112.029 174.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -73.27 -17.95 61.27 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.788 -0.57 . . . . 75.209999999999994 111.386 178.096 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.495 ' HB3' ' HG3' ' A' ' 54' ' ' LYS . 17.3 mm-40 -83.61 -31.87 26.04 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.244 0.618 . . . . 73.040000000000006 110.195 174.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.4 t0 62.72 31.66 16.51 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.711 1.204 . . . . 42.420000000000002 110.384 -175.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.495 ' HG3' ' HB3' ' A' ' 52' ' ' GLU . 54.2 mtmt -91.77 -4.08 55.4 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 115.159 -0.928 . . . . 64.400000000000006 112.1 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.681 HG11 HD23 ' A' ' 49' ' ' LEU . 30.2 m -127.32 150.75 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 112.88 0.696 . . . . 62.109999999999999 112.88 -177.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.2 t -107.4 122.03 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 108.324 -0.991 . . . . 64.239999999999995 108.324 167.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.405 ' O ' ' SD ' ' B' ' 3' ' ' MET . 27.9 p -103.74 132.07 50.34 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.617 0.599 . . . . 73.349999999999994 112.617 -169.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.4 m -135.34 167.63 20.69 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.449 0.699 . . . . 63.450000000000003 110.578 176.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -127.7 122.84 33.98 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.277 0.631 . . . . 53.149999999999999 109.796 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 67.0 t -115.82 108.51 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.857 0.863 . . . . 51.299999999999997 109.657 -177.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 49.7 49.76 19.5 Favored 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 125.115 1.366 . . . . 73.010000000000005 113.651 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.85 -22.75 39.22 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 115.031 0.773 . . . . 24.530000000000001 115.031 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -107.85 157.12 18.43 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 117.646 0.723 . . . . 72.219999999999999 111.852 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.6 mt -82.53 125.36 39.9 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.302 0 C-N-CA 123.368 0.667 . . . . 63.520000000000003 110.995 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.43 ' CE2' ' HD2' ' A' ' 67' ' ' LYS . 35.3 t80 -124.67 104.02 8.44 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.093 0.957 . . . . 75.439999999999998 109.44 176.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.9 m -108.2 137.68 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-O 121.948 0.88 . . . . 71.049999999999997 112.603 -174.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.442 ' HA ' ' HA3' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -113.07 179.3 4.0 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.168 1.387 . . . . 75.099999999999994 108.333 -177.726 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.445 HD23 HG12 ' A' ' 55' ' ' VAL . 58.0 mt -108.45 149.1 29.23 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.688 -0.632 . . . . 75.439999999999998 112.114 176.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.1 t -70.81 101.38 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 N-CA-C 108.113 -1.069 . . . . 73.140000000000001 108.113 162.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.81 -20.15 66.14 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.742 0.817 . . . . 61.210000000000001 111.959 -176.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -67.19 101.99 0.98 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.456 0.702 . . . . 74.409999999999997 109.483 168.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -124.06 144.25 49.97 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 112.712 0.634 . . . . 73.430000000000007 112.712 -172.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -113.66 -13.17 12.73 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.027 0.931 . . . . 74.409999999999997 110.806 169.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -113.93 159.62 19.7 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.215 1.006 . . . . 71.530000000000001 111.012 173.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.3 p80 -110.58 176.38 5.06 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.127 0.571 . . . . 61.409999999999997 111.911 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -82.23 136.79 35.02 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.069 0.947 . . . . 65.099999999999994 112.073 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 . . . . . 0 CA--C 1.552 1.051 0 CA-C-O 121.256 0.55 . . . . 74.099999999999994 110.27 174.868 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 CA--C 1.542 0.652 0 CA-C-O 121.042 0.449 . . . . 73.030000000000001 110.652 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -101.15 -3.77 28.53 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.192 0.597 . . . . 73.010000000000005 111.452 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.504 ' HG3' ' H ' ' B' ' 5' ' ' LYS . 45.6 tpp -61.06 141.74 57.17 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.306 1.042 . . . . 70.230000000000004 111.929 177.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.47 ' HA ' ' HG3' ' B' ' 7' ' ' LYS . 82.3 mt -63.53 -24.08 67.66 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 112.065 0.394 . . . . 65.319999999999993 112.065 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.504 ' H ' ' HG3' ' B' ' 3' ' ' MET . 23.1 tptm -62.34 -43.62 98.39 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.475 1.11 . . . . 71.209999999999994 111.292 170.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -74.56 -47.06 34.86 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.142 0.577 . . . . 65.200000000000003 111.746 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.47 ' HG3' ' HA ' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -64.67 -25.02 67.77 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.109 0.164 . . . . 73.209999999999994 111.248 177.614 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.14 -44.49 87.86 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.823 0.449 . . . . 65.209999999999994 111.023 170.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.28 -41.5 78.72 Favored Glycine 0 C--N 1.35 1.355 0 CA-C-N 115.885 -0.598 . . . . 61.020000000000003 113.691 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.46 94.62 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.368 0.667 . . . . 74.120000000000005 112.134 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 65.3 mt -68.74 -38.62 80.28 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.473 -0.785 . . . . 74.519999999999996 111.02 175.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.495 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -54.39 -41.15 68.89 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 112.926 0.713 . . . . 71.099999999999994 112.926 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.82 -53.76 43.6 Favored Glycine 0 C--N 1.346 1.113 0 O-C-N 123.595 0.559 . . . . 60.310000000000002 113.451 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -74.65 -29.8 61.38 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 112.761 0.652 . . . . 74.329999999999998 112.761 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.402 HD12 ' HA3' ' B' ' 45' ' ' GLY . 77.9 mt -67.76 -47.65 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 C-N-CA 122.716 0.407 . . . . 61.240000000000002 110.739 175.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -62.69 -41.52 99.15 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.887 0.475 . . . . 72.230000000000004 110.991 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.05 -27.31 67.28 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 112.892 0.701 . . . . 72.219999999999999 112.892 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.97 73.13 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 121.082 0.468 . . . . 51.420000000000002 110.744 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.471 HD22 ' HA2' ' B' ' 24' ' ' GLY . 99.8 mt -76.75 -23.46 52.99 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.836 0.854 . . . . 75.120000000000005 111.944 174.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -79.43 143.37 35.07 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.263 0.625 . . . . 73.239999999999995 110.198 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.29 -13.35 67.5 Favored Glycine 0 CA--C 1.535 1.323 0 CA-C-N 115.866 -0.606 . . . . 73.239999999999995 112.22 -166.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 31.1 p -134.65 -177.39 4.59 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 124.067 0.947 . . . . 74.340000000000003 110.348 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 67' ' ' LYS . 5.4 mp0 -100.75 25.07 8.28 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.34 0.656 . . . . 62.229999999999997 110.862 177.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.703 ' HA3' ' HA ' ' B' ' 67' ' ' LYS . . . 98.08 173.77 33.02 Favored Glycine 0 CA--C 1.536 1.347 0 N-CA-C 115.384 0.914 . . . . 63.140000000000001 115.384 177.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 88.3 mt -150.41 167.22 27.75 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 124.985 1.314 . . . . 62.420000000000002 110.106 -174.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 65' ' ' PHE . 39.0 p -78.59 164.89 24.28 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 109.955 -0.387 . . . . 73.310000000000002 109.955 170.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -49.73 -47.46 50.62 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.219 1.008 . . . . 73.230000000000004 112.045 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -68.42 -35.74 78.07 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 124.178 0.991 . . . . 70.310000000000002 112.121 -178.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.455 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 97.6 mt-30 -73.17 -33.67 65.59 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.091 0.556 . . . . 64.019999999999996 112.054 176.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.5 mt -67.6 -43.66 86.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 123.253 0.621 . . . . 74.329999999999998 110.414 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -59.81 -27.36 66.52 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.749 0.819 . . . . 73.420000000000002 112.211 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -69.95 -43.27 71.9 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 123.786 0.834 . . . . 62.109999999999999 111.366 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.59 -41.79 44.93 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.597 0.759 . . . . 71.120000000000005 112.434 -177.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 77.4 p -81.62 -17.21 48.98 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.829 0.852 . . . . 63.32 112.718 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm 69.28 20.52 7.41 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.961 1.304 . . . . 73.519999999999996 112.106 -176.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 71.3 mt -72.49 110.11 6.64 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.999 0.52 . . . . 72.340000000000003 110.541 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -67.14 -48.49 67.89 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.116 0.966 . . . . 71.409999999999997 111.338 177.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.2 147.18 28.18 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 121.423 0.63 . . . . 51.420000000000002 112.146 -177.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -69.82 -36.22 75.44 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.817 0.847 . . . . 73.540000000000006 110.721 171.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -53.66 -44.57 69.77 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 125.696 1.598 . . . . 74.450000000000003 113.957 -174.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.21 -31.63 70.36 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.069 -0.514 . . . . 51.240000000000002 111.33 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -65.28 -42.32 93.3 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 116.067 -0.515 . . . . 75.150000000000006 111.627 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -62.27 -46.01 90.72 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 112.512 0.56 . . . . 74.109999999999999 112.512 -175.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mp -68.17 -39.74 82.49 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.921 0.489 . . . . 74.120000000000005 111.195 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . 0.465 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -61.63 -48.37 84.83 Favored Glycine 0 CA--C 1.539 1.544 0 CA-C-N 116.568 -0.287 . . . . 42.409999999999997 112.893 173.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.06 -34.3 76.0 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.204 1.002 . . . . 70.439999999999998 111.689 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.67 -31.87 82.25 Favored Glycine 0 N--CA 1.471 0.976 0 CA-C-N 116.097 -0.501 . . . . 61.240000000000002 112.102 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' TRP . . . . . 0.495 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 12.0 t-105 -78.7 -29.98 45.77 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 123.461 0.705 . . . . 74.150000000000006 111.337 176.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.607 HD23 HG11 ' B' ' 55' ' ' VAL . 6.6 mp -64.8 -40.81 95.83 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 122.844 0.458 . . . . 71.120000000000005 110.867 170.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.3 mt -72.42 -34.15 67.63 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.172 0.989 . . . . 51.329999999999998 111.968 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -62.96 -26.7 68.96 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 122.761 0.424 . . . . 75.409999999999997 111.781 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.476 ' HB2' ' HE2' ' B' ' 54' ' ' LYS . 52.0 mt-10 -106.97 -4.27 19.24 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.459 0.704 . . . . 73.239999999999995 112.216 176.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 62.9 35.09 13.72 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.918 0.887 . . . . 71.340000000000003 111.67 175.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.476 ' HE2' ' HB2' ' B' ' 52' ' ' GLU . 47.9 mtmt -86.46 -8.66 57.42 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.634 0.774 . . . . 64.549999999999997 111.799 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.607 HG11 HD23 ' B' ' 49' ' ' LEU . 33.3 m -133.01 155.44 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 123.202 0.601 . . . . 60.109999999999999 112.276 -178.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 47.0 t -111.43 124.95 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.976 0.911 . . . . 54.329999999999998 109.24 169.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 26.6 p -103.26 146.33 28.6 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 121.676 0.75 . . . . 74.040000000000006 111.86 -176.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 64.1 m -149.17 172.56 14.63 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.002 1.321 . . . . 64.150000000000006 109.576 -174.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -116.17 109.25 17.2 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.964 -0.46 . . . . 54.219999999999999 110.374 175.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 74.6 t -117.8 123.54 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.834 0.853 . . . . 53.130000000000003 110.223 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 61.75 35.66 16.67 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.313 1.045 . . . . 74.409999999999997 111.796 174.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.43 -27.26 4.73 Favored Glycine 0 CA--C 1.534 1.272 0 CA-C-N 115.885 -0.598 . . . . 73.209999999999994 114.541 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -96.52 174.7 6.71 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.653 0.739 . . . . 74.25 112.251 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 62.4 mt -77.71 138.83 19.65 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.154 0 CA-C-N 115.434 -0.803 . . . . 64.409999999999997 111.104 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' PHE . . . . . 0.463 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 86.3 t80 -116.76 135.25 53.91 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.341 1.056 . . . . 75.439999999999998 108.873 171.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 48.7 t -131.05 113.01 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 123.321 0.649 . . . . 73.319999999999993 109.855 -177.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.703 ' HA ' ' HA3' ' B' ' 24' ' ' GLY . 15.6 pttp -110.73 169.16 8.94 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 109.314 -0.624 . . . . 74.0 109.314 174.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.419 HD23 HG12 ' B' ' 55' ' ' VAL . 48.1 mt -88.06 150.68 23.25 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 118.488 0.586 . . . . 61.539999999999999 111.383 176.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 86.8 t -75.21 -36.81 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 109.125 -0.695 . . . . 72.209999999999994 109.125 166.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 64.0 mt -89.64 77.22 7.2 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.306 0.642 . . . . 62.049999999999997 110.286 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -78.93 152.16 31.26 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.971 0.508 . . . . 73.120000000000005 110.548 176.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -82.93 -179.25 7.39 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 113.423 0.897 . . . . 62.32 113.423 -168.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -108.61 102.44 11.51 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.783 0.833 . . . . 75.329999999999998 110.173 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -73.74 103.36 4.27 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.061 0.544 . . . . 73.129999999999995 111.769 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -73.01 -36.91 67.11 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.823 0.849 . . . . 72.310000000000002 110.538 173.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -145.4 133.23 21.18 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.009 0.924 . . . . 75.340000000000003 110.741 175.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 . . . . . 0 CA--C 1.549 0.923 0 C-N-CA 123.967 0.907 . . . . 65.519999999999996 110.567 177.658 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.7 tpp . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 121.1 0.476 . . . . 65.530000000000001 110.854 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.36 31.35 11.78 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 115.007 1.484 . . . . 75.219999999999999 115.007 170.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 94.6 mmm -74.67 154.7 38.35 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.878 -0.514 . . . . 72.400000000000006 111.656 174.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.0 tp -60.88 -31.9 71.36 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.808 0.843 . . . . 54.049999999999997 112.249 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -73.7 -45.3 53.1 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 123.269 0.628 . . . . 72.049999999999997 111.515 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.76 -32.07 59.79 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 112.297 0.48 . . . . 72.099999999999994 112.297 -174.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -28.32 68.48 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 120.739 0.304 . . . . 74.400000000000006 110.75 175.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.74 -40.64 93.15 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.353 0.661 . . . . 62.130000000000003 110.739 170.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.84 -35.76 65.81 Favored Glycine 0 CA--C 1.543 1.792 0 CA-C-N 115.908 -0.587 . . . . 72.049999999999997 114.118 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.2 -46.09 88.65 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.258 0.623 . . . . 74.230000000000004 111.608 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.542 HD13 ' HB3' ' A' ' 41' ' ' ASP . 70.5 mt -72.58 -31.69 65.41 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.644 0.778 . . . . 72.450000000000003 111.116 177.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.12 -44.88 75.41 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.146 0.979 . . . . 74.400000000000006 112.315 176.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.6 -49.0 67.41 Favored Glycine 0 CA--C 1.535 1.334 0 CA-C-N 115.372 -0.831 . . . . 35.530000000000001 113.401 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.514 HE21 ' HA ' ' A' ' 11' ' ' LEU . 44.7 mt-30 -62.34 -43.93 97.67 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.969 0.908 . . . . 73.109999999999999 112.208 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.548 HG23 HG21 ' A' ' 30' ' ' ILE . 86.3 mt -64.36 -42.79 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 123.583 0.753 . . . . 74.200000000000003 111.318 178.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -58.73 -44.78 90.54 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 123.802 0.841 . . . . 73.150000000000006 110.917 175.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.68 -30.26 69.75 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.88 0.872 . . . . 73.430000000000007 112.637 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.0 79.72 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 121.272 0.558 . . . . 64.239999999999995 110.751 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.457 HD12 HD13 ' A' ' 25' ' ' LEU . 6.1 mp -81.94 -20.64 38.23 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.213 1.005 . . . . 73.120000000000005 111.921 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -67.02 120.71 14.1 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 122.966 0.506 . . . . 75.25 111.448 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.46 16.07 79.95 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 115.946 -0.57 . . . . 64.319999999999993 114.282 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.1 p -122.55 169.17 11.28 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.189 0.596 . . . . 72.219999999999999 111.238 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -87.73 10.5 18.09 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.398 0.679 . . . . 74.040000000000006 112.38 172.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.491 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 104.36 152.56 22.29 Favored Glycine 0 C--N 1.346 1.139 0 N-CA-C 114.662 0.625 . . . . 44.340000000000003 114.662 175.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.457 HD13 HD12 ' A' ' 19' ' ' LEU . 5.5 mp -129.08 153.01 48.06 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 124.156 0.982 . . . . 63.439999999999998 109.595 -178.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.9 p -87.74 172.91 9.32 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.323 0.649 . . . . 64.219999999999999 110.394 174.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -59.58 -34.82 73.19 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 112.332 0.493 . . . . 62.109999999999999 112.332 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -62.95 -46.48 87.57 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.665 0.786 . . . . 71.439999999999998 112.255 172.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.426 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 52.4 mt-30 -66.26 -47.86 72.35 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.304 0.642 . . . . 74.409999999999997 112.421 -177.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.548 HG21 HG23 ' A' ' 15' ' ' ILE . 57.5 mt -69.75 -44.92 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 123.331 0.652 . . . . 72.349999999999994 111.841 -176.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -53.18 -42.53 66.32 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.894 0.877 . . . . 73.319999999999993 111.544 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -70.15 -45.78 66.08 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 123.857 0.863 . . . . 64.420000000000002 111.57 173.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.18 -22.94 63.88 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 113.355 0.872 . . . . 71.310000000000002 113.355 -174.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.6 p -107.81 -7.04 16.43 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 124.075 0.95 . . . . 71.140000000000001 111.433 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt 66.66 29.19 8.89 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.902 1.281 . . . . 75.25 111.798 176.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.02 119.06 10.72 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.906 0.482 . . . . 64.519999999999996 111.588 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -55.4 -37.66 67.89 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.655 1.182 . . . . 72.140000000000001 112.224 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -133.49 147.68 51.66 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.757 0.823 . . . . 71.439999999999998 110.849 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.5 -24.2 66.43 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 115.17 -0.923 . . . . 70.349999999999994 111.645 170.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -60.36 -35.29 75.35 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.903 0.881 . . . . 73.230000000000004 112.201 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.542 ' HB3' HD13 ' A' ' 11' ' ' LEU . 25.3 m-20 -66.25 -38.14 87.16 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.714 0.806 . . . . 70.099999999999994 110.632 173.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -67.87 -42.02 81.93 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 114.971 -1.013 . . . . 75.120000000000005 112.693 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -63.47 -39.53 94.71 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 122.886 0.475 . . . . 61.399999999999999 112.141 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -71.36 -35.83 71.28 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.392 0.677 . . . . 61.439999999999998 111.038 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.49 -59.52 8.71 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 116.194 -0.457 . . . . 62.229999999999997 113.428 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.05 -29.31 70.19 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.0 0.52 . . . . 60.100000000000001 110.413 177.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.79 -29.98 71.64 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-N 116.046 -0.525 . . . . 75.019999999999996 112.517 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.622 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 10.8 t-105 -72.79 -41.58 64.83 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 122.595 0.358 . . . . 74.439999999999998 110.548 171.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.696 HD23 HG11 ' A' ' 55' ' ' VAL . 6.1 mp -56.25 -30.1 61.95 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 123.941 0.896 . . . . 55.43 112.435 176.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.0 mt -67.0 -39.52 87.13 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.692 0.797 . . . . 70.219999999999999 112.448 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.622 ' HE ' ' HA ' ' A' ' 48' ' ' TRP . 15.3 ptp180 -73.92 -25.92 60.24 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 121.014 0.435 . . . . 73.519999999999996 110.793 178.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -78.69 -27.9 45.12 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.415 0.686 . . . . 74.099999999999994 110.318 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 56.05 27.71 11.76 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.885 1.274 . . . . 55.109999999999999 112.205 -174.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -85.91 -1.25 57.11 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 115.733 -0.667 . . . . 74.519999999999996 110.979 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.696 HG11 HD23 ' A' ' 49' ' ' LEU . 28.0 m -128.09 152.69 36.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 123.786 0.835 . . . . 62.509999999999998 111.933 176.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 p -114.1 127.43 71.52 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 124.27 1.028 . . . . 74.209999999999994 109.669 167.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.613 ' HB ' HD12 ' B' ' 4' ' ' LEU . 52.2 p -105.95 133.25 50.96 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.959 0.904 . . . . 72.340000000000003 110.92 -174.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.41 ' HB3' ' HD2' ' A' ' 65' ' ' PHE . 38.6 t -122.33 143.42 49.65 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.963 0.905 . . . . 74.209999999999994 110.194 174.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -95.14 104.05 15.92 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 109.342 -0.614 . . . . 75.25 109.342 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.3 t -111.08 108.28 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 123.457 0.703 . . . . 72.430000000000007 110.21 -177.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 57.98 38.92 26.88 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.889 1.276 . . . . 72.439999999999998 112.863 171.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.35 -1.92 86.2 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 114.782 0.673 . . . . 72.340000000000003 114.782 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -114.59 160.34 19.39 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.554 0.742 . . . . 61.109999999999999 112.005 -177.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.41 HG23 HD13 ' B' ' 4' ' ' LEU . 63.0 mt -82.82 113.62 22.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 115.185 -0.916 . . . . 62.439999999999998 111.561 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.41 ' HD2' ' HB3' ' A' ' 58' ' ' SER . 73.8 t80 -106.27 128.58 54.08 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 107.584 -1.265 . . . . 74.420000000000002 107.584 165.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.445 HG13 HD21 ' A' ' 19' ' ' LEU . 7.1 p -139.68 143.23 30.96 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-O 120.866 0.365 . . . . 60.210000000000001 111.164 -177.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.491 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 21.4 ptmt -143.05 167.45 22.04 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.652 0.781 . . . . 75.329999999999998 109.626 174.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.451 HD23 HG12 ' A' ' 55' ' ' VAL . 24.6 mt -68.6 149.27 49.36 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 118.421 0.555 . . . . 53.409999999999997 111.172 173.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.3 t -65.72 108.12 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 109.42 -0.585 . . . . 63.530000000000001 109.42 170.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.9 mt -74.47 85.71 2.03 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 109.172 -0.677 . . . . 74.519999999999996 109.172 175.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -61.42 -40.53 94.75 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.844 0.858 . . . . 71.319999999999993 111.173 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -91.26 110.54 21.83 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 114.926 -1.033 . . . . 63.200000000000003 109.355 -177.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -105.2 62.53 0.69 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.682 0.793 . . . . 61.420000000000002 111.014 -176.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -85.46 97.25 9.92 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.167 0.587 . . . . 64.430000000000007 110.862 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -115.55 118.36 32.92 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.191 0.997 . . . . 73.430000000000007 109.761 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -64.96 -33.85 77.03 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 123.583 0.753 . . . . 73.299999999999997 112.932 -172.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 . . . . . 0 N--CA 1.485 1.308 0 C-N-CA 123.113 0.565 . . . . 71.0 111.743 178.801 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 36.3 mmt . . . . . 0 CA--C 1.547 0.832 0 CA-C-O 120.837 0.351 . . . . 75.430000000000007 110.936 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -79.15 141.48 37.22 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.569 0.348 . . . . 51.210000000000001 111.177 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.7 tpt -134.58 171.65 14.03 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 112.601 0.593 . . . . 44.130000000000003 112.601 -167.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.613 HD12 ' HB ' ' A' ' 57' ' ' THR . 96.7 mt -61.79 -42.73 99.37 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.39 1.076 . . . . 64.019999999999996 112.602 177.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -68.87 -39.75 79.67 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.292 -0.413 . . . . 73.219999999999999 111.77 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -67.13 -43.03 83.41 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 116.339 -0.392 . . . . 75.340000000000003 112.019 -176.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.419 ' HE2' ' HA ' ' B' ' 4' ' ' LEU . 0.1 OUTLIER -63.5 -39.36 94.24 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.306 0.243 . . . . 74.040000000000006 110.98 178.564 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.55 -34.72 77.5 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.613 0.765 . . . . 64.239999999999995 110.906 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.36 -35.72 59.91 Favored Glycine 0 CA--C 1.539 1.531 0 CA-C-N 115.394 -0.821 . . . . 75.540000000000006 113.463 175.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.43 -43.22 86.27 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.783 0.833 . . . . 74.209999999999994 111.566 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.594 ' HA ' HE21 ' B' ' 14' ' ' GLN . 59.2 mt -68.81 -35.69 77.31 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.907 0.883 . . . . 75.530000000000001 110.669 175.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.462 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -55.98 -52.09 65.41 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.41 1.084 . . . . 64.219999999999999 112.799 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.78 -40.91 73.54 Favored Glycine 0 CA--C 1.532 1.131 0 O-C-N 123.834 0.709 . . . . 73.209999999999994 113.851 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.594 HE21 ' HA ' ' B' ' 11' ' ' LEU . 32.5 mt-30 -65.01 -48.33 74.3 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.176 0.591 . . . . 73.549999999999997 110.922 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.52 HG23 HG21 ' B' ' 30' ' ' ILE . 66.4 mt -62.89 -42.76 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.904 0.881 . . . . 72.510000000000005 111.843 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . 0.449 ' HE1' ' HB3' ' B' ' 54' ' ' LYS . 79.7 t90 -66.0 -43.07 88.84 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.357 0.663 . . . . 74.510000000000005 111.329 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -61.09 -34.28 74.68 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.195 0.598 . . . . 52.409999999999997 112.195 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.01 -37.83 88.87 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.002 0.521 . . . . 63.109999999999999 111.373 173.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.639 HD21 HD11 ' B' ' 30' ' ' ILE . 95.5 mt -79.45 -24.99 42.05 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.941 0.896 . . . . 74.319999999999993 112.233 179.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -68.66 132.78 47.46 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.58 0.752 . . . . 74.129999999999995 111.449 -175.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.15 5.85 87.37 Favored Glycine 0 CA--C 1.542 1.756 0 CA-C-N 116.205 -0.452 . . . . 72.430000000000007 113.699 -176.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.2 m -126.9 158.61 36.3 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.788 0.835 . . . . 75.219999999999999 110.888 -173.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -72.57 -11.43 60.65 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.928 0.891 . . . . 75.430000000000007 112.807 177.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.98 150.14 7.58 Favored Glycine 0 N--CA 1.475 1.243 0 C-N-CA 123.428 0.537 . . . . 70.109999999999999 112.87 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.408 HD13 HD23 ' B' ' 19' ' ' LEU . 6.6 mp -126.72 157.98 37.65 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.735 0.814 . . . . 72.450000000000003 110.156 -178.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 34.3 p -81.14 172.46 13.64 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 116.298 -0.41 . . . . 70.530000000000001 110.466 171.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 53.6 tt0 -57.93 -47.96 81.34 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.054 0.542 . . . . 74.340000000000003 110.649 175.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.94 -46.88 78.38 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.447 1.099 . . . . 73.439999999999998 111.918 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -63.93 -40.86 97.43 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.239 0.616 . . . . 74.409999999999997 111.845 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.639 HD11 HD21 ' B' ' 19' ' ' LEU . 69.6 mt -70.44 -42.49 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.004 0.522 . . . . 71.439999999999998 111.7 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.408 ' HE2' ' O ' ' B' ' 36' ' ' LEU . 12.9 mmmm -55.77 -39.93 71.92 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 123.336 0.655 . . . . 74.409999999999997 111.197 176.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -49.36 48.55 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-N 115.12 -0.946 . . . . 74.340000000000003 110.816 176.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.69 89.75 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 123.826 0.85 . . . . 70.230000000000004 112.675 -176.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 50.6 p -90.37 -12.15 38.44 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.682 1.193 . . . . 64.409999999999997 112.121 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.05 34.69 4.97 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.205 1.002 . . . . 35.420000000000002 112.195 176.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.408 ' O ' ' HE2' ' B' ' 31' ' ' LYS . 92.5 mt -80.61 138.3 36.43 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 109.263 -0.643 . . . . 70.409999999999997 109.263 176.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -85.51 -52.29 5.94 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.054 0.454 . . . . 62.210000000000001 111.215 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -95.17 141.71 28.46 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.515 0.726 . . . . 44.0 111.055 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -58.97 -27.26 65.21 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.78 0.832 . . . . 74.109999999999999 111.44 171.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -52.33 -40.91 62.52 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.898 1.279 . . . . 71.349999999999994 112.288 172.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -63.48 -37.7 88.3 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.162 0.585 . . . . 74.019999999999996 110.944 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -66.72 -46.16 76.39 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.068 -0.969 . . . . 74.209999999999994 111.72 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -69.82 -35.97 75.24 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 112.649 0.611 . . . . 71.019999999999996 112.649 -175.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp -72.69 -40.4 66.25 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.095 0.558 . . . . 54.140000000000001 111.279 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.64 -55.97 15.23 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 116.26 -0.427 . . . . 72.019999999999996 112.872 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.571 HD11 HG21 ' B' ' 66' ' ' VAL . 57.6 tp -58.32 -35.92 72.59 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.159 0.984 . . . . 62.229999999999997 112.198 176.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.91 -32.1 83.05 Favored Glycine 0 N--CA 1.474 1.23 0 CA-C-N 115.871 -0.604 . . . . 53.219999999999999 112.257 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' TRP . . . . . 0.555 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 27.6 t-105 -75.43 -34.25 60.97 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.301 0.641 . . . . 63.5 110.535 173.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.677 HD23 HG11 ' B' ' 55' ' ' VAL . 6.6 mp -61.38 -32.81 72.74 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.9 -0.5 . . . . 53.329999999999998 111.43 172.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.56 -39.4 77.43 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.551 0.74 . . . . 72.230000000000004 111.723 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' B' ' 48' ' ' TRP . 0.0 OUTLIER -74.44 -24.45 59.07 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-N 117.865 0.302 . . . . 72.340000000000003 111.319 177.497 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -80.29 -18.15 50.11 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.47 0.708 . . . . 63.409999999999997 110.663 171.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.91 17.27 10.77 Favored 'General case' 0 CA--C 1.56 1.327 0 C-N-CA 125.195 1.398 . . . . 73.420000000000002 111.63 176.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.449 ' HB3' ' HE1' ' B' ' 16' ' ' TRP . 9.9 mtmp? -85.65 -5.85 59.22 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.929 0.892 . . . . 73.340000000000003 113.135 -175.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.677 HG11 HD23 ' B' ' 49' ' ' LEU . 22.8 m -134.68 163.91 35.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.495 0.664 . . . . 71.099999999999994 112.761 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 p -135.27 133.64 52.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 124.786 1.234 . . . . 71.150000000000006 109.71 174.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 68.4 p -105.11 133.73 49.4 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.726 0.811 . . . . 43.43 110.521 -173.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 92.5 p -126.97 159.81 32.94 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.878 0.871 . . . . 55.140000000000001 110.577 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -98.4 105.0 17.09 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.463 0.705 . . . . 73.430000000000007 110.805 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.5 t -114.79 109.69 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.188 0.595 . . . . 72.120000000000005 110.713 172.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 58.85 35.69 24.34 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.863 1.265 . . . . 74.409999999999997 113.88 168.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.95 10.45 83.97 Favored Glycine 0 CA--C 1.54 1.63 0 N-CA-C 113.841 0.297 . . . . 64.439999999999998 113.841 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -125.75 153.52 43.84 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.384 1.074 . . . . 73.430000000000007 111.388 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 61.2 mt -78.16 113.84 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 123.11 0.564 . . . . 43.210000000000001 110.369 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -111.43 110.6 21.13 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.375 -0.972 . . . . 70.329999999999998 108.375 172.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.571 HG21 HD11 ' B' ' 46' ' ' LEU . 7.5 p -116.16 149.21 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 122.931 0.492 . . . . 71.239999999999995 110.872 -176.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -146.07 166.53 25.84 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.06 0.944 . . . . 74.319999999999993 109.743 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.428 HD23 HG12 ' B' ' 55' ' ' VAL . 45.4 mt -76.17 155.3 34.69 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 122.17 -0.331 . . . . 54.420000000000002 111.426 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 26.2 t -83.98 69.33 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 CA-C-O 122.265 1.031 . . . . 74.430000000000007 110.548 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 10.0 mp -111.31 -14.53 13.78 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 114.77 -1.105 . . . . 44.039999999999999 109.367 166.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.48 98.92 2.87 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.24 0.616 . . . . 72.439999999999998 110.964 177.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -130.21 7.31 5.01 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.91 0.884 . . . . 74.310000000000002 110.552 174.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -83.07 -37.48 23.8 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.686 0.794 . . . . 74.310000000000002 109.835 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -87.76 54.79 3.23 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 124.001 0.921 . . . . 54.439999999999998 110.195 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -103.16 25.18 9.78 Favored 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 124.559 1.144 . . . . 60.039999999999999 111.339 -173.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -57.92 -35.71 71.46 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.496 0.718 . . . . 74.230000000000004 111.717 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 77.0 t60 . . . . . 0 N--CA 1.482 1.128 0 C-N-CA 123.782 0.833 . . . . 74.219999999999999 110.809 175.58 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 111.546 0.202 . . . . 52.329999999999998 111.546 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -80.14 130.32 35.14 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.171 0.588 . . . . 74.150000000000006 111.581 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 95.1 mmm -74.69 165.96 24.37 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.489 0.716 . . . . 53.25 111.756 175.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.455 HD23 ' HB2' ' B' ' 59' ' ' GLU . 0.3 OUTLIER -58.73 -22.59 58.04 Favored 'General case' 0 CA--C 1.566 1.559 0 N-CA-C 113.385 0.883 . . . . 51.409999999999997 113.385 173.548 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -75.73 -37.94 58.93 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.131 0.572 . . . . 64.230000000000004 110.37 176.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -63.42 -42.53 98.72 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.784 0.802 . . . . 74.010000000000005 109.961 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -59.15 -47.95 83.42 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 114.22 -1.354 . . . . 72.010000000000005 111.753 172.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.03 -34.15 71.58 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.862 0.865 . . . . 73.230000000000004 111.777 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.64 -33.99 63.26 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-N 114.985 -1.007 . . . . 44.329999999999998 113.217 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.93 -45.42 67.55 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.519 0.727 . . . . 65.450000000000003 111.192 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.435 ' HA ' HE21 ' A' ' 14' ' ' GLN . 92.8 mt -61.56 -31.08 71.1 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 124.081 0.952 . . . . 70.109999999999999 111.455 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -56.04 -45.2 79.26 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.448 0.907 . . . . 63.439999999999998 113.448 177.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.18 -52.89 46.49 Favored Glycine 0 CA--C 1.535 1.309 0 O-C-N 123.686 0.616 . . . . 53.119999999999997 114.242 -175.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.435 HE21 ' HA ' ' A' ' 11' ' ' LEU . 29.0 pt20 -67.35 -37.69 83.64 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 123.407 0.683 . . . . 73.409999999999997 112.253 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.666 HD12 ' HA3' ' A' ' 45' ' ' GLY . 61.9 mt -65.94 -41.96 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 123.172 0.589 . . . . 75.120000000000005 111.308 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -62.28 -46.15 90.06 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.258 0.623 . . . . 75.409999999999997 111.109 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.28 -26.79 68.24 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.444 0.698 . . . . 75.310000000000002 112.381 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.95 -37.65 81.84 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.218 0.607 . . . . 42.329999999999998 110.903 173.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.5 mt -79.55 -24.55 42.06 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.245 1.018 . . . . 63.530000000000001 112.413 175.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.407 ' HA ' HD11 ' A' ' 68' ' ' LEU . 25.1 t-20 -71.12 121.13 17.73 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.189 0.596 . . . . 74.010000000000005 111.819 -172.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.86 -2.85 44.97 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-N 115.905 -0.589 . . . . 71.219999999999999 114.343 -175.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.422 ' HA ' ' HE1' ' A' ' 76' ' ' HIS . 59.0 p -125.95 176.17 7.18 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 117.88 0.84 . . . . 74.019999999999996 111.518 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -81.33 -1.64 46.11 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.627 0.771 . . . . 73.439999999999998 112.043 175.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.32 152.65 8.68 Favored Glycine 0 C--N 1.346 1.086 0 C-N-CA 123.161 0.41 . . . . 64.439999999999998 112.51 -173.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.523 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 98.3 mt -129.91 160.92 32.09 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.629 0.772 . . . . 64.049999999999997 111.076 -177.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.3 p -80.98 164.65 22.39 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.587 0.755 . . . . 73.430000000000007 110.805 170.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -60.78 -28.28 68.63 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 122.7 0.4 . . . . 55.299999999999997 111.817 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -56.11 -53.79 52.8 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.751 0.821 . . . . 72.519999999999996 112.024 168.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.523 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 15.5 mm-40 -72.83 -39.74 66.35 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.718 0.807 . . . . 64.129999999999995 112.297 -173.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.5 -52.94 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.436 0.694 . . . . 75.340000000000003 110.97 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.524 ' HG3' ' HB2' ' A' ' 36' ' ' LEU . 3.5 ttpm? -61.51 -35.05 76.6 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.651 0.78 . . . . 74.340000000000003 111.752 -177.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -67.55 -48.84 65.79 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 123.425 0.69 . . . . 75.140000000000001 111.608 175.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.35 99.03 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.414 0.686 . . . . 51.329999999999998 111.786 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.431 ' OG1' ' HG ' ' A' ' 36' ' ' LEU . 76.9 p -85.2 -9.06 58.25 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.403 1.081 . . . . 71.540000000000006 112.614 -177.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt 68.6 23.79 7.12 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.495 1.118 . . . . 73.5 112.007 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.524 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 79.1 mt -69.94 152.14 44.82 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.03 0.532 . . . . 75.150000000000006 110.474 178.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.467 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -96.39 -29.65 13.83 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.277 0.631 . . . . 74.329999999999998 111.429 -167.743 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.15 167.6 21.8 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.885 0.874 . . . . 62.229999999999997 111.674 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -61.93 -29.13 70.01 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.701 1.2 . . . . 61.25 111.438 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -43.57 76.97 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.561 1.145 . . . . 75.109999999999999 112.505 176.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -64.31 -39.32 93.68 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.602 0.715 . . . . 74.430000000000007 110.706 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -63.55 -43.52 96.82 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 114.353 -1.294 . . . . 74.239999999999995 112.011 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -64.38 -40.15 95.27 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 112.587 0.588 . . . . 73.319999999999993 112.587 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.05 -46.57 88.58 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.538 0.735 . . . . 54.049999999999997 111.671 177.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.666 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -69.88 -47.6 46.29 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-N 116.198 -0.455 . . . . 42.130000000000003 113.367 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.22 -36.79 78.49 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.856 0.862 . . . . 70.409999999999997 112.1 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.98 -30.9 74.6 Favored Glycine 0 N--CA 1.476 1.302 0 CA-C-N 115.576 -0.738 . . . . 64.430000000000007 112.542 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.584 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 8.7 t-105 -77.7 -35.43 52.12 Favored 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 123.435 0.694 . . . . 74.400000000000006 111.555 177.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.532 HD23 HG11 ' A' ' 55' ' ' VAL . 6.6 mp -61.91 -37.19 83.7 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.188 0.595 . . . . 63.399999999999999 111.036 173.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.9 mt -64.89 -49.33 70.91 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.844 0.858 . . . . 71.340000000000003 112.291 175.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.584 ' HG2' ' HA ' ' A' ' 48' ' ' TRP . 15.4 ptm180 -63.99 -34.78 78.76 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 113.221 0.822 . . . . 54.25 113.221 -174.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.66 6.79 47.13 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 112.162 0.43 . . . . 73.230000000000004 112.162 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.45 31.08 15.19 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.856 0.862 . . . . 70.310000000000002 111.664 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -88.67 -14.84 36.4 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.973 0.909 . . . . 65.530000000000001 111.899 -173.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.532 HG11 HD23 ' A' ' 49' ' ' LEU . 27.5 m -132.52 174.52 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 112.723 0.638 . . . . 75.340000000000003 112.723 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.3 p -131.36 128.95 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.852 0.861 . . . . 64.519999999999996 109.091 160.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.9 p -102.59 148.08 25.99 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.601 0.715 . . . . 73.140000000000001 111.534 -174.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.6 t -146.84 171.34 15.34 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.531 -1.213 . . . . 74.519999999999996 108.953 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.34 122.1 34.45 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.947 0.499 . . . . 65.219999999999999 109.926 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.5 t -115.04 111.45 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.516 1.126 . . . . 54.439999999999998 110.777 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 50.92 43.49 28.64 Favored 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 125.638 1.575 . . . . 60.539999999999999 114.892 169.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.4 -7.63 61.91 Favored Glycine 0 N--CA 1.479 1.563 0 N-CA-C 114.971 0.748 . . . . 71.200000000000003 114.971 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -127.24 162.74 25.5 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 117.715 0.758 . . . . 71.439999999999998 111.547 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.2 mt -82.9 131.27 34.13 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 C-N-CA 123.532 0.733 . . . . 71.400000000000006 111.335 -176.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -119.71 111.29 17.84 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.507 1.123 . . . . 73.519999999999996 108.583 174.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.1 t -103.74 138.08 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.072 0.549 . . . . 72.420000000000002 110.669 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -121.43 168.78 11.3 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.153 0.981 . . . . 71.540000000000006 109.24 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 20' ' ' ASN . 45.8 mt -88.9 -177.87 5.59 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 118.183 0.447 . . . . 55.350000000000001 110.377 167.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.0 t -83.89 36.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 CA-C-O 121.948 0.88 . . . . 72.340000000000003 111.567 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.8 mt 55.11 28.72 11.34 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 124.896 1.278 . . . . 54.119999999999997 113.251 174.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.24 132.15 53.16 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.696 0.798 . . . . 72.510000000000005 110.571 -175.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -87.99 -4.69 58.78 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 113.919 1.081 . . . . 74.230000000000004 113.919 -162.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -71.96 104.63 3.58 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-N 118.3 0.5 . . . . 74.010000000000005 111.086 -179.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 61.95 24.6 14.67 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.695 1.198 . . . . 75.239999999999995 112.363 -177.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -75.3 110.43 9.63 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.622 0.769 . . . . 71.329999999999998 109.471 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.422 ' HE1' ' HA ' ' A' ' 22' ' ' THR . 10.9 p-80 -62.09 155.41 24.23 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 112.805 0.668 . . . . 53.200000000000003 112.805 -179.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 45.7 t60 . . . . . 0 N--CA 1.484 1.274 0 C-N-CA 124.074 0.95 . . . . 73.549999999999997 111.778 -176.364 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 CA--C 1.556 1.175 0 CA-C-O 120.65 0.262 . . . . 74.140000000000001 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt 56.18 39.74 30.23 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.767 1.227 . . . . 75.230000000000004 111.891 173.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 24.1 mmt -66.82 161.66 23.31 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.626 0.77 . . . . 63.539999999999999 113.045 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.74 -22.84 67.11 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 115.193 -0.912 . . . . 74.439999999999998 110.855 171.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -71.57 -44.68 64.07 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.526 0.73 . . . . 70.439999999999998 111.471 171.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -65.83 -42.9 89.99 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.149 0.58 . . . . 71.400000000000006 111.656 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -27.17 62.34 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 122.269 0.227 . . . . 71.150000000000006 111.465 175.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.9 -50.51 68.47 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 123.128 0.571 . . . . 62.0 111.342 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.38 -32.22 78.88 Favored Glycine 0 CA--C 1.535 1.328 0 CA-C-N 115.635 -0.712 . . . . 72.409999999999997 113.725 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.18 -49.2 72.96 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.262 0.625 . . . . 71.230000000000004 111.015 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.492 ' O ' HG12 ' B' ' 15' ' ' ILE . 94.2 mt -63.13 -34.57 77.91 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.576 0.75 . . . . 74.430000000000007 111.451 176.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.411 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -54.19 -31.44 52.9 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.393 0.677 . . . . 44.32 112.628 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.09 -53.68 42.92 Favored Glycine 0 CA--C 1.54 1.635 0 CA-C-N 116.034 -0.53 . . . . 43.009999999999998 113.48 172.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -74.59 -31.12 61.95 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 112.604 0.594 . . . . 65.400000000000006 112.604 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.492 HG12 ' O ' ' B' ' 11' ' ' LEU . 41.9 mm -65.6 -43.69 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 C-N-CA 123.244 0.618 . . . . 72.129999999999995 109.887 175.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -62.92 -45.12 93.98 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 115.514 -0.767 . . . . 72.010000000000005 110.978 173.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -63.69 -29.08 70.35 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.212 0.605 . . . . 43.219999999999999 112.541 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.53 -41.18 93.39 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 122.914 0.486 . . . . 63.229999999999997 110.667 172.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.608 HD21 HG23 ' B' ' 66' ' ' VAL . 92.3 mt -79.68 -15.37 57.69 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.637 0.775 . . . . 71.439999999999998 112.561 175.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.444 ' HA ' HD11 ' B' ' 68' ' ' LEU . 50.4 t30 -71.02 123.95 23.26 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.972 0.509 . . . . 74.400000000000006 110.346 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.03 -2.1 75.12 Favored Glycine 0 CA--C 1.538 1.493 0 CA-C-N 115.963 -0.562 . . . . 51.399999999999999 113.596 -174.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 18.5 p -121.11 162.72 19.57 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 117.515 0.657 . . . . 65.040000000000006 110.629 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -105.15 10.86 33.69 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.004 0.522 . . . . 75.540000000000006 111.164 175.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.506 ' HA2' ' HB3' ' B' ' 67' ' ' LYS . . . 156.47 128.43 1.08 Allowed Glycine 0 C--N 1.352 1.441 0 N-CA-C 114.295 0.478 . . . . 62.439999999999998 114.295 178.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 95.8 mt -132.72 161.41 34.08 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.424 1.09 . . . . 72.530000000000001 109.611 170.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 23.1 p -84.57 171.05 12.79 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 120.744 0.307 . . . . 71.409999999999997 110.255 166.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -56.79 -36.6 70.07 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.185 0.594 . . . . 74.310000000000002 112.131 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' B' ' 32' ' ' LYS . 88.1 mttt -67.56 -45.67 74.95 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.49 1.116 . . . . 71.400000000000006 112.112 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.76 -35.82 81.06 Favored 'General case' 0 N--CA 1.497 1.884 0 C-N-CA 123.054 0.542 . . . . 72.329999999999998 111.948 176.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.408 HG21 HG23 ' B' ' 15' ' ' ILE . 28.3 mt -66.0 -44.58 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 122.932 0.493 . . . . 62.420000000000002 111.343 173.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -59.34 -27.96 66.39 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 122.947 0.499 . . . . 74.540000000000006 112.164 177.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' B' ' 28' ' ' LYS . 14.1 mmmm -70.73 -47.16 61.15 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 122.767 0.427 . . . . 74.099999999999994 111.526 174.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.29 -30.32 67.31 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.341 0.656 . . . . 72.319999999999993 112.501 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 81.4 p -94.99 -21.94 18.27 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.101 0.96 . . . . 64.140000000000001 112.251 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 66.78 28.25 8.96 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 124.878 1.271 . . . . 74.140000000000001 112.034 -176.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 78.1 mt -72.63 128.39 35.41 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 116.08 -0.509 . . . . 70.219999999999999 109.781 172.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -80.0 -45.33 18.61 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.593 0.757 . . . . 75.099999999999994 110.002 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.89 142.37 28.96 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 115.228 -0.896 . . . . 54.43 111.829 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -69.29 -24.95 64.02 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.188 0.995 . . . . 72.25 110.817 170.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -52.91 -41.61 64.58 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.179 1.392 . . . . 64.310000000000002 112.643 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.31 -37.79 77.95 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.316 0.646 . . . . 65.209999999999994 111.057 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -60.27 -48.33 82.18 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 115.976 -0.556 . . . . 73.019999999999996 111.791 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -59.05 -35.41 73.28 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.174 0.59 . . . . 73.519999999999996 112.559 -175.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -73.02 -37.1 67.05 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.407 0.683 . . . . 62.219999999999999 111.546 176.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . 0.445 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -66.4 -54.8 21.28 Favored Glycine 0 CA--C 1.539 1.54 0 CA-C-N 116.59 -0.277 . . . . 55.130000000000003 112.743 175.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 68.6 tp -59.15 -35.34 73.35 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.418 1.087 . . . . 70.239999999999995 112.266 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.31 -33.56 84.94 Favored Glycine 0 N--CA 1.477 1.368 0 CA-C-O 121.45 0.472 . . . . 73.540000000000006 112.498 178.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' TRP . . . . . 0.516 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 9.7 t-105 -77.85 -31.89 51.74 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.398 0.679 . . . . 64.140000000000001 111.233 176.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.618 ' HB3' HG22 ' B' ' 55' ' ' VAL . 7.3 mp -62.34 -37.54 86.04 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.104 0.562 . . . . 54.219999999999999 111.469 172.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 94.2 mt -71.29 -35.6 71.37 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.485 0.714 . . . . 72.329999999999998 112.298 175.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' B' ' 48' ' ' TRP . 0.0 OUTLIER -68.94 -36.37 77.87 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 112.241 0.46 . . . . 74.010000000000005 112.241 -176.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.593 ' HB2' ' HG3' ' B' ' 54' ' ' LYS . 48.8 mt-10 -87.03 -19.23 28.96 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.722 0.409 . . . . 73.140000000000001 111.346 176.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 60.97 50.04 5.4 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 122.483 1.135 . . . . 75.109999999999999 111.071 -168.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.593 ' HG3' ' HB2' ' B' ' 52' ' ' GLU . 23.7 mtpp -76.83 -29.45 55.94 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 113.773 -1.558 . . . . 71.129999999999995 109.528 172.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.618 HG22 ' HB3' ' B' ' 49' ' ' LEU . 17.1 m -132.63 166.9 27.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 CA-C-N 115.201 -0.909 . . . . 73.310000000000002 111.526 -175.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.27 135.93 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.158 1.383 . . . . 55.109999999999999 108.886 167.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . 0.43 HG23 HD11 ' A' ' 4' ' ' LEU . 2.5 t -127.74 152.51 47.66 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.576 0.703 . . . . 72.340000000000003 110.749 -176.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 71.0 m -120.83 139.74 52.73 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 114.693 -1.14 . . . . 62.109999999999999 109.939 -172.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.455 ' HB2' HD23 ' A' ' 4' ' ' LEU . 40.0 tt0 -96.78 101.3 12.87 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 107.648 -1.241 . . . . 74.349999999999994 107.648 177.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 72.3 t -123.65 109.2 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.915 0.886 . . . . 72.049999999999997 110.11 -169.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 53.89 30.89 12.28 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 125.129 1.371 . . . . 75.420000000000002 112.899 176.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.68 -21.4 41.44 Favored Glycine 0 CA--C 1.543 1.844 0 N-CA-C 114.631 0.612 . . . . 74.140000000000001 114.631 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -86.31 141.87 28.92 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.754 0.821 . . . . 71.209999999999994 111.84 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 49.0 mt -85.85 105.1 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.222 0 C-N-CA 123.57 0.748 . . . . 74.409999999999997 110.612 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -105.36 101.94 11.45 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.463 0.705 . . . . 75.450000000000003 110.366 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.608 HG23 HD21 ' B' ' 19' ' ' LEU . 33.8 m -99.53 150.29 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 123.969 0.907 . . . . 73.430000000000007 111.941 -172.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.506 ' HB3' ' HA2' ' B' ' 24' ' ' GLY . 19.3 pttm -158.21 160.43 37.15 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 123.419 0.688 . . . . 64.140000000000001 109.752 177.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.46 HD23 HG12 ' B' ' 55' ' ' VAL . 45.2 mt -65.62 160.23 23.04 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 118.9 0.773 . . . . 64.319999999999993 111.252 175.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 89.2 t -67.03 87.34 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 CA-C-O 121.677 0.751 . . . . 62.329999999999998 109.31 170.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 92.7 mt -116.73 91.74 3.67 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.027 0.931 . . . . 75.239999999999995 109.547 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.72 -19.78 65.83 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.534 0.734 . . . . 54.0 112.185 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 55.0 m170 -59.66 -21.74 60.94 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.293 0.637 . . . . 72.409999999999997 111.915 172.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -108.19 141.42 39.95 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.095 0.958 . . . . 74.450000000000003 109.919 173.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 70.33 9.25 6.93 Favored 'General case' 0 CA--C 1.57 1.714 0 C-N-CA 124.661 1.185 . . . . 74.209999999999994 113.866 171.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 25.3 p-80 -70.08 133.25 46.98 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.301 -0.875 . . . . 63.43 111.068 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -79.63 75.22 6.29 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 123.605 0.762 . . . . 72.200000000000003 110.563 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 . . . . . 0 N--CA 1.485 1.301 0 C-N-CA 123.554 0.741 . . . . 34.149999999999999 110.452 179.295 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 119.82 -0.133 . . . . 72.219999999999999 111.112 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.72 124.47 26.08 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 121.642 0.734 . . . . 53.450000000000003 110.237 -176.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.704 ' HG3' ' H ' ' A' ' 5' ' ' LYS . 15.1 tpt -115.16 149.19 38.03 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.236 1.014 . . . . 73.349999999999994 111.453 -169.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -69.3 -22.19 63.81 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.001 0.521 . . . . 54.340000000000003 111.449 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.704 ' H ' ' HG3' ' A' ' 3' ' ' MET . 40.6 ttmt -69.31 -53.71 18.28 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.29 1.036 . . . . 73.150000000000006 111.519 176.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.39 -28.34 67.85 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 122.747 0.419 . . . . 73.349999999999994 111.191 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -67.4 -45.66 75.52 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.385 1.074 . . . . 65.239999999999995 109.529 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.95 84.71 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.913 0.885 . . . . 43.549999999999997 111.674 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.3 -33.71 73.67 Favored Glycine 0 CA--C 1.539 1.559 0 CA-C-N 115.828 -0.624 . . . . 74.420000000000002 114.021 175.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.94 -42.59 85.05 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.241 0.616 . . . . 75.239999999999995 111.037 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.5 mt -64.74 -39.05 92.98 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.97 0.908 . . . . 64.530000000000001 111.088 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.502 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -56.27 -36.43 68.57 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.753 0.821 . . . . 40.340000000000003 112.31 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.52 -39.45 97.35 Favored Glycine 0 CA--C 1.54 1.616 0 CA-C-N 115.74 -0.664 . . . . 65.409999999999997 113.213 172.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -70.26 -53.35 17.31 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.407 0.683 . . . . 74.310000000000002 111.943 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.09 -44.05 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 C-N-CA 123.707 0.803 . . . . 63.32 110.55 -176.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -66.96 -40.34 87.46 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 112.276 0.473 . . . . 72.400000000000006 112.276 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -65.52 -26.36 67.87 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 118.559 0.618 . . . . 74.239999999999995 112.151 175.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.04 -31.31 68.88 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 123.048 0.539 . . . . 75.409999999999997 111.073 171.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.444 HD21 HG13 ' A' ' 66' ' ' VAL . 94.2 mt -85.82 -24.91 26.58 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.156 0.982 . . . . 64.25 112.237 176.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.523 ' HA ' HD11 ' A' ' 68' ' ' LEU . 64.3 t30 -73.18 125.45 27.75 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.151 0.58 . . . . 64.030000000000001 111.188 -173.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.56 11.15 80.52 Favored Glycine 0 CA--C 1.538 1.508 0 CA-C-N 116.008 -0.542 . . . . 74.25 114.132 -175.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.8 p -124.69 168.76 12.73 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.367 0.667 . . . . 64.230000000000004 110.382 176.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' HG3' ' HE1' ' A' ' 73' ' ' HIS . 6.1 mp0 -76.03 -12.26 60.1 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 123.231 0.612 . . . . 74.310000000000002 111.46 173.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.57 158.16 7.64 Favored Glycine 0 C--N 1.34 0.776 0 N-CA-C 111.173 -0.771 . . . . 40.310000000000002 111.173 -170.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.4 tp -147.1 148.18 31.33 Favored 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 117.132 0.466 . . . . 72.420000000000002 110.098 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.1 p -85.08 164.2 18.35 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.07 0.548 . . . . 74.150000000000006 111.4 -178.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.489 ' NE2' HD12 ' A' ' 64' ' ' ILE . 35.1 tt0 -52.84 -50.4 63.81 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.987 0.915 . . . . 74.030000000000001 112.696 -178.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -56.29 -48.13 77.25 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.756 0.822 . . . . 75.439999999999998 112.196 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -73.37 -27.08 61.29 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 115.577 -0.738 . . . . 74.219999999999999 112.365 -175.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.2 mt -72.64 -48.13 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 122.806 0.443 . . . . 61.130000000000003 110.38 173.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -61.14 -26.08 67.44 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 123.417 0.687 . . . . 63.539999999999999 111.843 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -66.43 -53.82 31.27 Favored 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 123.983 0.913 . . . . 74.340000000000003 110.985 169.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.15 -26.23 64.77 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.747 0.819 . . . . 61.130000000000003 112.95 -175.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.4 p -98.35 -18.91 18.07 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.301 1.04 . . . . 70.530000000000001 111.922 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt 68.94 26.43 5.76 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 124.63 1.172 . . . . 73.409999999999997 112.208 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.44 102.49 5.2 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.123 -0.489 . . . . 61.299999999999997 110.31 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -61.31 -43.97 97.99 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.265 1.026 . . . . 73.140000000000001 110.822 174.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.96 146.14 28.17 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.37 0.668 . . . . 74.099999999999994 112.306 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.11 -36.28 81.59 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.437 1.095 . . . . 52.420000000000002 111.71 171.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -53.75 -48.29 69.83 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 125.225 1.41 . . . . 73.129999999999995 112.626 -173.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.86 -29.46 70.41 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 114.864 -1.062 . . . . 73.299999999999997 112.218 -176.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -65.11 -45.64 84.3 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.359 -0.382 . . . . 74.420000000000002 110.8 173.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -67.64 -36.62 81.13 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.16 0.584 . . . . 72.120000000000005 112.165 -176.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.86 -41.31 75.03 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.203 0.601 . . . . 73.439999999999998 111.138 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.465 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -65.17 -53.75 31.36 Favored Glycine 0 C--N 1.352 1.463 0 CA-C-N 116.321 -0.4 . . . . 74.430000000000007 113.09 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.416 HD11 HG21 ' A' ' 66' ' ' VAL . 56.8 tp -63.11 -33.69 76.0 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.391 1.077 . . . . 72.310000000000002 111.907 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.39 -31.22 68.59 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-N 115.606 -0.724 . . . . 61.140000000000001 112.825 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.502 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 39.6 t-105 -74.45 -28.43 61.04 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 123.025 0.53 . . . . 72.230000000000004 111.226 177.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.656 HD23 HG11 ' A' ' 55' ' ' VAL . 4.4 mp -62.51 -28.99 70.22 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 123.93 0.892 . . . . 72.150000000000006 111.726 173.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.77 -33.23 75.21 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.691 0.796 . . . . 54.5 112.165 172.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.674 ' HG2' ' HA ' ' B' ' 51' ' ' ARG . 8.2 mtp180 -58.05 -40.03 79.95 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.417 0.627 . . . . 64.019999999999996 111.2 172.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -85.57 -27.14 25.71 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.087 -0.96 . . . . 75.239999999999995 111.27 -175.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 60.0 27.11 16.47 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.573 1.149 . . . . 71.329999999999998 111.418 -174.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -85.06 -3.59 58.85 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.186 -0.915 . . . . 74.349999999999994 111.489 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.656 HG11 HD23 ' A' ' 49' ' ' LEU . 25.6 m -131.82 164.56 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.695 0.798 . . . . 63.149999999999999 111.019 177.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.58 137.77 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.961 0 C-N-CA 124.333 1.053 . . . . 60.240000000000002 109.584 173.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.1 p -104.05 139.94 38.45 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.309 0.644 . . . . 63.020000000000003 111.544 -170.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.9 m -125.48 144.35 50.58 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.45 1.1 . . . . 54.240000000000002 110.425 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -97.91 105.07 17.16 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.98 -0.748 . . . . 72.430000000000007 108.98 176.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.4 t -113.29 109.88 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.281 0.633 . . . . 75.310000000000002 110.498 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 53.01 31.67 11.48 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 114.2 1.185 . . . . 64.010000000000005 114.2 169.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.54 -2.42 64.9 Favored Glycine 0 CA--C 1.54 1.61 0 N-CA-C 115.339 0.896 . . . . 65.209999999999994 115.339 177.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -114.33 154.15 28.53 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 118.435 1.118 . . . . 61.310000000000002 112.071 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.489 HD12 ' NE2' ' A' ' 27' ' ' GLN . 58.1 mt -77.18 110.09 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-N 115.672 -0.695 . . . . 75.540000000000006 110.679 177.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -104.56 142.36 34.78 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 108.554 -0.906 . . . . 73.540000000000006 108.554 167.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.444 HG13 HD21 ' A' ' 19' ' ' LEU . 5.7 p -139.16 149.83 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 122.776 0.43 . . . . 42.43 110.056 173.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.89 153.62 42.51 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.281 0.632 . . . . 64.219999999999999 110.733 -175.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' A' ' 20' ' ' ASN . 51.2 mt -71.52 144.84 49.48 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.724 0.297 . . . . 72.25 110.906 175.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 t -75.51 -9.65 12.93 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.682 0 CA-C-O 121.412 0.625 . . . . 72.150000000000006 110.022 173.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.7 mt -91.85 34.39 1.0 Allowed 'General case' 0 CA--C 1.562 1.412 0 C-N-CA 124.437 1.095 . . . . 65.219999999999999 112.135 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -82.23 104.4 12.52 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.973 0.509 . . . . 75.120000000000005 110.881 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -88.25 67.69 8.81 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.51 0.724 . . . . 74.510000000000005 112.374 -174.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.447 ' HE1' ' HG3' ' A' ' 23' ' ' GLU . 10.2 p-80 -169.92 156.56 6.23 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.263 0.625 . . . . 61.210000000000001 111.415 169.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -71.13 91.7 0.93 Allowed 'General case' 0 CA--C 1.56 1.34 0 CA-C-O 121.736 0.779 . . . . 73.299999999999997 111.573 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -108.38 112.15 24.44 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.723 0.809 . . . . 75.319999999999993 111.418 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -118.66 144.75 45.98 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.095 0.558 . . . . 72.530000000000001 109.876 168.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 121.641 0.734 . . . . 74.340000000000003 110.254 178.414 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 CA--C 1.555 1.17 0 CA-C-O 120.724 0.297 . . . . 64.209999999999994 111.591 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.95 91.42 0.04 OUTLIER 'General case' 0 CA--C 1.564 1.514 0 CA-C-O 121.785 0.802 . . . . 70.019999999999996 111.692 173.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 86.5 mtp -79.89 117.67 20.96 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 122.948 0.499 . . . . 51.200000000000003 109.96 176.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.27 -13.83 42.7 Favored 'General case' 0 CA--C 1.563 1.479 0 C-N-CA 123.528 0.731 . . . . 73.120000000000005 112.491 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -66.37 -40.18 89.59 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.191 0.996 . . . . 64.519999999999996 110.817 172.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -69.53 -41.05 76.51 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.035 0.445 . . . . 63.310000000000002 109.93 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -60.79 -34.25 74.21 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.681 0.792 . . . . 72.519999999999996 111.205 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.84 -44.45 86.53 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.67 0.788 . . . . 72.129999999999995 111.597 171.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.25 -32.49 76.17 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 115.918 -0.583 . . . . 42.329999999999998 114.144 176.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.79 -40.52 88.15 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.352 0.661 . . . . 40.409999999999997 111.76 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.555 ' HA ' HE21 ' B' ' 14' ' ' GLN . 79.6 mt -65.87 -40.65 91.84 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.448 0.699 . . . . 71.519999999999996 110.822 172.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.588 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -59.54 -38.47 81.12 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.737 0.815 . . . . 74.439999999999998 113.162 -177.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' B' ' 17' ' ' GLU . . . -59.35 -53.62 44.71 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 123.664 0.603 . . . . 62.130000000000003 113.289 178.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.555 HE21 ' HA ' ' B' ' 11' ' ' LEU . 29.2 pt20 -70.84 -30.97 67.53 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.194 0.598 . . . . 75.439999999999998 112.411 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.566 HD12 ' HA3' ' B' ' 45' ' ' GLY . 64.1 mt -67.35 -46.03 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 122.943 0.497 . . . . 73.530000000000001 110.826 176.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -56.86 -41.26 77.62 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 123.799 0.84 . . . . 62.43 111.418 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' B' ' 13' ' ' GLY . 52.5 mt-10 -62.67 -35.04 78.39 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.767 0.827 . . . . 65.140000000000001 112.438 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 -33.12 75.24 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.309 0.643 . . . . 71.219999999999999 111.579 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 mp -83.24 -22.85 32.98 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.508 0.723 . . . . 62.439999999999998 111.502 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -74.26 126.7 31.2 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.931 0.492 . . . . 64.340000000000003 109.826 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.49 -13.9 66.49 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 114.048 0.379 . . . . 75.430000000000007 114.048 -175.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 46.2 p -110.36 172.72 6.7 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.529 0.732 . . . . 72.439999999999998 110.204 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -79.75 0.15 31.88 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 122.877 0.471 . . . . 64.239999999999995 111.915 172.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.21 154.41 14.45 Favored Glycine 0 C--N 1.346 1.109 0 N-CA-C 111.971 -0.452 . . . . 73.230000000000004 111.971 -171.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 95.9 mt -131.78 154.6 48.92 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.721 0.808 . . . . 75.340000000000003 110.453 -175.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' B' ' 65' ' ' PHE . 43.5 p -77.49 163.6 26.19 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 109.362 -0.607 . . . . 62.350000000000001 109.362 172.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.759 ' HG3' ' HD2' ' B' ' 28' ' ' LYS . 4.4 pt20 -52.57 -40.04 62.18 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 112.797 0.666 . . . . 73.150000000000006 112.797 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.759 ' HD2' ' HG3' ' B' ' 27' ' ' GLN . 0.3 OUTLIER -63.54 -42.17 98.43 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 123.455 0.702 . . . . 74.319999999999993 111.605 177.101 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.529 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 17.1 mm-40 -67.97 -42.56 80.68 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.391 0.676 . . . . 71.349999999999994 111.477 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.462 HG21 HG23 ' B' ' 15' ' ' ILE . 78.5 mt -63.58 -45.57 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.707 0.803 . . . . 73.409999999999997 110.926 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -51.0 -44.48 60.96 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.846 0.858 . . . . 74.340000000000003 112.335 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -67.4 -40.18 85.59 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.363 0.665 . . . . 71.439999999999998 111.655 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.33 69.53 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.323 0.649 . . . . 71.400000000000006 112.3 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.482 HG21 ' HA ' ' B' ' 15' ' ' ILE . 73.5 p -95.78 -7.31 37.48 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 123.964 0.906 . . . . 73.450000000000003 112.465 -176.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt 72.94 18.05 4.09 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 125.386 1.474 . . . . 73.200000000000003 111.681 177.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 mp -70.4 109.64 4.87 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.253 1.021 . . . . 74.319999999999993 110.224 172.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -29.99 66.84 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.926 0.49 . . . . 73.140000000000001 111.028 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.9 144.88 49.5 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.113 0.965 . . . . 74.230000000000004 111.619 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.02 -23.77 67.46 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.151 0.981 . . . . 75.010000000000005 110.968 171.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -53.19 -41.23 65.06 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.518 1.127 . . . . 75.129999999999995 112.251 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.56 -48.74 66.06 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.202 0.601 . . . . 73.310000000000002 109.588 173.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -55.21 -35.95 65.43 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.184 0.993 . . . . 74.140000000000001 113.412 -177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -66.12 -33.12 75.05 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 118.327 0.512 . . . . 73.219999999999999 111.95 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -72.79 -43.61 62.57 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.139 0.575 . . . . 63.229999999999997 110.471 173.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . 0.566 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -65.02 -60.68 6.55 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-N 116.259 -0.428 . . . . 42.520000000000003 113.324 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 62.2 tp -53.56 -35.07 60.37 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.103 0.961 . . . . 75.329999999999998 112.379 170.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.46 -33.41 84.61 Favored Glycine 0 CA--C 1.533 1.162 0 N-CA-C 112.34 -0.304 . . . . 75.030000000000001 112.34 176.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' TRP . . . . . 0.588 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 35.9 t-105 -77.49 -33.8 54.4 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.475 0.71 . . . . 72.549999999999997 111.675 173.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.685 ' HB3' HG22 ' B' ' 55' ' ' VAL . 8.7 mp -60.0 -34.55 73.49 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.244 0.618 . . . . 73.540000000000006 111.548 171.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 93.9 mt -77.51 -34.59 54.05 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.296 0.638 . . . . 64.409999999999997 111.03 171.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.674 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -55.28 -47.94 74.76 Favored 'General case' 0 N--CA 1.499 2.016 0 C-N-CA 124.385 1.074 . . . . 72.450000000000003 111.931 -178.2 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.424 ' HB2' ' HG3' ' B' ' 54' ' ' LYS . 43.8 mt-10 -95.59 -0.32 52.03 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 111.948 0.351 . . . . 71.310000000000002 111.948 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 58.38 42.05 22.02 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.88 0.872 . . . . 64.230000000000004 111.362 -173.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.424 ' HG3' ' HB2' ' B' ' 52' ' ' GLU . 22.0 mtpp -71.33 -34.91 70.96 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.668 1.187 . . . . 70.349999999999994 110.741 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.685 HG22 ' HB3' ' B' ' 49' ' ' LEU . 15.7 m -133.64 178.53 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 CA-C-O 121.581 0.705 . . . . 75.209999999999994 112.036 -173.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -130.58 136.75 57.71 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 C-N-CA 124.818 1.247 . . . . 71.420000000000002 109.967 172.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 66.6 p -105.6 155.57 19.09 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.422 0.689 . . . . 64.340000000000003 110.459 -178.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 68.3 m -140.79 143.6 34.96 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.838 0.855 . . . . 74.230000000000004 110.318 -177.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -97.67 103.76 15.72 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.56 -0.904 . . . . 73.150000000000006 108.56 174.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 86.0 t -107.94 102.04 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 108.662 -0.866 . . . . 41.420000000000002 108.662 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 44.45 43.69 6.43 Favored 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 125.311 1.444 . . . . 72.219999999999999 113.448 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.2 -25.29 28.28 Favored Glycine 0 CA--C 1.542 1.764 0 N-CA-C 115.239 0.855 . . . . 74.030000000000001 115.239 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -78.56 136.23 37.49 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 117.708 0.754 . . . . 74.340000000000003 112.067 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 69.2 mt -83.24 95.02 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.289 0 N-CA-C 109.801 -0.444 . . . . 71.150000000000006 109.801 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 65.6 t80 -92.75 115.11 27.81 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.256 1.022 . . . . 73.120000000000005 110.725 178.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 25.7 t -111.04 142.61 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 123.46 0.704 . . . . 71.019999999999996 110.964 -174.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -152.78 152.13 31.26 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 122.73 0.412 . . . . 60.210000000000001 110.745 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.402 HD23 HG12 ' B' ' 55' ' ' VAL . 44.8 mt -62.21 151.41 36.21 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 112.357 0.503 . . . . 44.020000000000003 112.357 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 86.7 t -69.25 96.35 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 108.47 -0.937 . . . . 51.310000000000002 108.47 167.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 88.6 mt -53.0 -55.29 24.67 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.318 1.047 . . . . 75.120000000000005 112.353 -171.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -134.19 121.6 21.61 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.32 0.648 . . . . 60.310000000000002 109.779 -176.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -141.39 107.83 5.29 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 124.117 0.967 . . . . 74.109999999999999 108.811 171.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -87.49 165.03 15.82 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 113.102 0.778 . . . . 71.310000000000002 113.102 -172.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -58.82 111.98 1.48 Allowed 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 114.698 -1.137 . . . . 71.049999999999997 111.247 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -83.46 85.36 7.26 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.361 0.664 . . . . 74.099999999999994 110.11 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -161.85 137.35 7.52 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.576 0.75 . . . . 75.219999999999999 110.101 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 60.7 m80 . . . . . 0 N--CA 1.483 1.213 0 C-N-CA 123.373 0.669 . . . . 64.040000000000006 110.679 177.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 120.817 0.341 . . . . 72.219999999999999 110.738 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -78.2 90.88 4.31 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 122.854 0.462 . . . . 70.5 110.994 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.9 mmt -71.79 124.96 25.95 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.333 0.653 . . . . 70.409999999999997 110.964 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.0 mt -67.02 -12.82 60.97 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 123.114 0.566 . . . . 65.549999999999997 111.742 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.549 ' HG2' ' HZ3' ' A' ' 48' ' ' TRP . 27.5 ttmt -70.52 -30.6 67.4 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 122.877 0.471 . . . . 74.099999999999994 110.812 172.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -67.45 -44.3 79.01 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.231 0.613 . . . . 74.109999999999999 112.435 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.27 -28.21 67.0 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 111.534 0.198 . . . . 74.299999999999997 111.534 176.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.29 98.63 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.923 0.489 . . . . 64.120000000000005 111.102 174.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.81 -38.78 49.14 Favored Glycine 0 CA--C 1.536 1.385 0 CA-C-N 115.638 -0.71 . . . . 34.43 114.006 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.35 92.09 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.564 0.746 . . . . 74.310000000000002 111.893 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.504 HD13 ' HB3' ' A' ' 41' ' ' ASP . 90.1 mt -69.89 -38.2 76.28 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.668 -0.696 . . . . 75.030000000000001 111.064 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.99 -34.4 69.94 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.996 0.518 . . . . 75.0 112.251 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.75 -55.28 31.31 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-N 115.59 -0.732 . . . . 70.299999999999997 113.467 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.58 -31.09 66.56 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.068 0.547 . . . . 52.549999999999997 112.407 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.2 mt -64.0 -49.11 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 C-N-CA 123.17 0.588 . . . . 73.239999999999995 110.268 174.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -64.11 -40.75 96.88 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-N 115.939 -0.573 . . . . 75.109999999999999 111.614 178.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.17 -31.37 72.52 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.289 0.636 . . . . 75.329999999999998 111.653 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.31 -33.69 73.55 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.37 0.668 . . . . 54.130000000000003 111.14 172.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.4 mt -80.3 -23.09 40.94 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.945 0.898 . . . . 64.340000000000003 112.315 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.467 ' HA ' HD11 ' A' ' 68' ' ' LEU . 23.1 t-20 -68.58 120.42 14.57 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.02 0.528 . . . . 62.329999999999998 111.394 -177.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.88 -28.99 13.05 Favored Glycine 0 CA--C 1.538 1.506 0 CA-C-N 115.754 -0.657 . . . . 53.32 112.809 -170.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.587 HG22 ' H ' ' A' ' 24' ' ' GLY . 11.7 m -88.67 154.15 20.53 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.02 0.928 . . . . 64.120000000000005 110.727 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -84.83 -8.25 58.87 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.486 0.714 . . . . 70.310000000000002 112.593 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.587 ' H ' HG22 ' A' ' 22' ' ' THR . . . 146.83 143.34 3.86 Favored Glycine 0 C--N 1.346 1.105 0 N-CA-C 113.492 0.157 . . . . 73.439999999999998 113.492 -177.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.482 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 93.9 mt -136.0 158.63 43.94 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.343 1.057 . . . . 73.319999999999993 110.256 177.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.5 p -86.77 172.36 10.21 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.32 0.248 . . . . 73.439999999999998 110.473 171.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -51.46 -45.38 62.7 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.764 0.826 . . . . 61.109999999999999 111.882 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -63.42 -39.34 94.22 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.91 0.884 . . . . 64.310000000000002 112.954 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.482 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 7.2 mm-40 -70.56 -37.28 73.97 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.199 0.523 . . . . 71.019999999999996 111.38 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.3 mt -68.21 -39.69 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 115.487 -0.779 . . . . 62.439999999999998 111.202 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.404 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 10.1 mmmm -53.56 -39.56 64.86 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 123.521 0.728 . . . . 75.439999999999998 112.1 175.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -70.5 -44.15 68.21 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 122.965 0.506 . . . . 52.329999999999998 111.583 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.8 -23.01 61.49 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.751 1.019 . . . . 61.25 113.751 -174.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.435 ' OG1' ' HG ' ' A' ' 36' ' ' LEU . 75.9 p -121.76 -9.38 8.86 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 113.092 0.775 . . . . 73.030000000000001 113.092 -177.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? 52.86 40.52 30.92 Favored 'General case' 0 N--CA 1.504 2.262 0 C-N-CA 125.777 1.631 . . . . 73.530000000000001 113.271 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.435 ' HG ' ' OG1' ' A' ' 34' ' ' THR . 83.4 mt -56.14 126.58 26.67 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 115.583 -0.735 . . . . 71.329999999999998 110.786 177.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.643 ' HD3' ' H ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -63.57 -32.6 74.11 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.011 0.925 . . . . 65.349999999999994 111.209 -169.419 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.41 162.67 34.77 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.43 1.092 . . . . 72.519999999999996 109.872 169.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.02 -24.36 66.0 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.911 0.485 . . . . 61.210000000000001 110.333 169.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -51.94 -38.07 55.12 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.183 0.993 . . . . 74.310000000000002 111.308 171.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.504 ' HB3' HD13 ' A' ' 11' ' ' LEU . 44.3 m-20 -67.37 -38.04 84.13 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.711 0.804 . . . . 64.299999999999997 111.414 175.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -62.04 -43.75 98.17 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.484 0.714 . . . . 73.239999999999995 112.034 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -65.3 -36.13 83.14 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 122.979 0.512 . . . . 74.329999999999998 112.21 -174.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -71.99 -37.97 69.77 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 122.984 0.514 . . . . 64.299999999999997 111.076 175.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.59 -45.99 86.74 Favored Glycine 0 CA--C 1.539 1.581 0 CA-C-N 116.549 -0.296 . . . . 53.109999999999999 112.884 175.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.7 tp -64.59 -31.02 72.05 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.674 1.19 . . . . 72.25 111.504 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.2 -33.06 85.89 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-N 116.116 -0.493 . . . . 62.340000000000003 112.307 176.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.549 ' HZ3' ' HG2' ' A' ' 5' ' ' LYS . 8.7 t-105 -77.9 -32.27 51.68 Favored 'General case' 0 CA--C 1.56 1.339 0 C-N-CA 123.931 0.893 . . . . 73.349999999999994 111.558 175.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.478 ' HB3' HG22 ' A' ' 55' ' ' VAL . 7.7 mp -58.09 -46.01 86.22 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.156 0.582 . . . . 70.129999999999995 110.933 170.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.4 mt -70.37 -33.59 71.61 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.038 0.935 . . . . 62.509999999999998 111.513 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.523 ' HD2' ' HA ' ' B' ' 51' ' ' ARG . 28.4 ttt180 -54.97 -49.86 70.37 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.967 0.907 . . . . 71.540000000000006 112.579 177.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.507 ' HB2' ' HG3' ' A' ' 54' ' ' LYS . 33.3 mt-10 -94.74 -6.99 41.84 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.58 -0.736 . . . . 62.039999999999999 111.099 -177.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 58.95 36.03 24.34 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.769 1.228 . . . . 54.219999999999999 111.411 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.507 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 48.5 mtmt -72.69 -18.13 61.57 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.057 -0.974 . . . . 72.230000000000004 111.134 177.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.478 HG22 ' HB3' ' A' ' 49' ' ' LEU . 20.6 m -129.53 168.55 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.606 0.762 . . . . 72.099999999999994 110.584 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.593 HG13 HG22 ' A' ' 69' ' ' VAL . 6.0 m -130.43 139.28 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.77 1.228 . . . . 74.430000000000007 108.818 168.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.655 HG22 HG12 ' A' ' 66' ' ' VAL . 41.5 p -109.58 132.86 53.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.227 0.611 . . . . 60.229999999999997 111.445 -169.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.467 ' HB2' ' HD2' ' A' ' 65' ' ' PHE . 44.3 m -115.71 137.97 51.57 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.114 0.966 . . . . 71.319999999999993 109.505 176.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -96.08 101.33 12.98 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.985 -0.746 . . . . 73.129999999999995 108.985 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.408 HG12 ' HG3' ' A' ' 61' ' ' GLU . 81.7 t -121.66 114.03 41.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.099 0.959 . . . . 71.239999999999995 110.251 -169.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.408 ' HG3' HG12 ' A' ' 60' ' ' VAL . 27.0 mt-10 60.56 30.77 19.99 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.978 1.311 . . . . 71.040000000000006 112.693 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.66 0.0 46.12 Favored Glycine 0 CA--C 1.543 1.805 0 N-CA-C 114.744 0.658 . . . . 53.229999999999997 114.744 -173.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -98.75 155.04 17.55 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.912 0.885 . . . . 60.119999999999997 111.146 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.8 mt -74.45 104.69 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 CA-C-N 115.238 -0.892 . . . . 73.239999999999995 110.52 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.467 ' HD2' ' HB2' ' A' ' 58' ' ' SER . 87.9 t80 -109.2 131.36 55.14 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.72 -0.845 . . . . 72.25 108.72 168.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.655 HG12 HG22 ' A' ' 57' ' ' THR . 19.6 m -125.77 159.11 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.515 0.726 . . . . 51.210000000000001 110.182 -179.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.577 ' HG3' HG23 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -152.79 167.97 27.26 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.776 0.83 . . . . 64.230000000000004 109.484 174.737 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.467 HD11 ' HA ' ' A' ' 20' ' ' ASN . 32.4 mt -84.62 164.08 18.89 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 118.785 0.721 . . . . 61.32 112.284 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.593 HG22 HG13 ' A' ' 56' ' ' VAL . 55.2 t -88.48 97.46 6.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 CA-C-N 114.954 -1.021 . . . . 73.030000000000001 109.874 174.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -128.9 112.4 14.06 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.344 0.592 . . . . 73.540000000000006 110.221 173.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.82 -30.9 68.52 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.515 0.726 . . . . 73.219999999999999 111.402 177.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -84.7 115.37 22.64 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 121.229 0.537 . . . . 74.129999999999995 110.328 175.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -160.25 97.05 1.22 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.941 0.896 . . . . 75.129999999999995 109.424 175.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -86.6 21.57 2.14 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.075 0.55 . . . . 74.439999999999998 112.368 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -121.49 122.77 40.47 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.021 0.928 . . . . 75.109999999999999 110.594 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -87.47 153.8 21.14 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.585 0.754 . . . . 74.420000000000002 111.256 175.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 . . . . . 0 N--CA 1.481 1.09 0 C-N-CA 123.477 0.711 . . . . 73.140000000000001 110.741 178.48 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.439 ' SD ' ' N ' ' B' ' 1' ' ' MET . 1.4 mpt? . . . . . 0 CA--C 1.545 0.752 0 N-CA-C 109.829 -0.434 . . . . 70.0 109.829 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? 58.04 78.65 0.23 Allowed 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 124.883 1.273 . . . . 54.420000000000002 113.96 172.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 20.0 ptm -95.04 148.36 22.42 Favored 'General case' 0 N--CA 1.483 1.195 0 O-C-N 121.62 -0.675 . . . . 73.540000000000006 110.521 170.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.5 mp -53.54 -30.23 40.69 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.589 0.756 . . . . 72.109999999999999 112.382 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -64.93 -38.61 91.55 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 123.049 0.54 . . . . 73.109999999999999 112.052 -177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -65.94 -51.12 61.31 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.047 0.539 . . . . 73.430000000000007 111.263 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -23.27 60.38 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 112.236 0.458 . . . . 70.420000000000002 112.236 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.84 94.74 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 122.942 0.497 . . . . 74.519999999999996 111.104 170.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.98 -32.3 76.84 Favored Glycine 0 CA--C 1.537 1.45 0 CA-C-N 115.72 -0.673 . . . . 75.510000000000005 113.569 174.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.19 -43.2 78.64 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.223 0.609 . . . . 71.209999999999994 111.271 175.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.98 -36.1 82.38 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.334 0.654 . . . . 71.519999999999996 110.781 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.3 -46.18 91.38 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.678 0.791 . . . . 43.43 112.929 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.8 -53.04 38.54 Favored Glycine 0 C--N 1.347 1.14 0 O-C-N 124.128 0.892 . . . . 73.230000000000004 113.913 -175.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -65.0 -37.79 88.81 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 123.486 0.714 . . . . 64.430000000000007 112.544 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.698 HG23 HG21 ' B' ' 30' ' ' ILE . 77.3 mt -66.47 -43.47 90.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 C-N-CA 123.701 0.8 . . . . 71.219999999999999 111.838 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -61.97 -43.08 99.6 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.623 0.769 . . . . 75.129999999999995 111.523 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -64.46 -30.38 71.42 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.423 0.689 . . . . 73.109999999999999 112.434 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -33.26 74.59 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.197 0.522 . . . . 73.120000000000005 111.308 172.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.584 HD21 HD11 ' B' ' 30' ' ' ILE . 88.2 mt -87.43 -20.45 26.61 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.992 0.917 . . . . 63.420000000000002 112.563 177.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -70.46 124.65 24.72 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.89 0.476 . . . . 74.349999999999994 111.098 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.77 4.79 88.36 Favored Glycine 0 CA--C 1.54 1.594 0 CA-C-N 116.095 -0.502 . . . . 62.450000000000003 113.296 -173.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.547 HG22 ' H ' ' B' ' 24' ' ' GLY . 29.6 m -122.89 147.63 46.36 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.59 1.156 . . . . 64.25 109.745 -176.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.17 -22.28 62.06 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.789 0.436 . . . . 73.219999999999999 111.96 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.547 ' H ' HG22 ' B' ' 22' ' ' THR . . . 148.52 147.53 4.55 Favored Glycine 0 C--N 1.348 1.236 0 CA-C-N 116.225 -0.443 . . . . 73.319999999999993 112.061 -174.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.47 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 87.3 mt -138.95 159.01 43.16 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.789 0.835 . . . . 73.099999999999994 111.02 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 29.9 p -82.37 168.91 17.04 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 116.066 -0.516 . . . . 74.019999999999996 110.536 172.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -60.7 -31.64 70.9 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.39 0.276 . . . . 72.109999999999999 111.666 175.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -63.82 -48.9 74.97 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.645 0.778 . . . . 73.319999999999993 111.585 176.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.47 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 80.4 mm-40 -63.63 -47.29 81.95 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 115.568 -0.742 . . . . 62.439999999999998 111.506 -178.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.698 HG21 HG23 ' B' ' 15' ' ' ILE . 83.9 mt -68.08 -49.46 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 115.317 -0.856 . . . . 62.109999999999999 111.808 -177.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -59.46 -36.71 76.48 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 122.932 0.493 . . . . 44.450000000000003 110.958 -175.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -68.64 -47.89 65.44 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.779 0.832 . . . . 73.450000000000003 110.688 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.29 -31.59 71.42 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.42 0.688 . . . . 62.149999999999999 112.384 -178.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 80.8 p -93.18 -10.91 34.12 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.442 1.097 . . . . 54.350000000000001 112.107 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt 71.98 19.75 4.59 Favored 'General case' 0 CA--C 1.569 1.675 0 C-N-CA 124.956 1.303 . . . . 71.549999999999997 111.5 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.412 HD22 ' HB3' ' B' ' 41' ' ' ASP . 96.7 mt -75.94 154.71 35.73 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.474 0.71 . . . . 62.240000000000002 109.963 173.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -117.94 -40.05 3.03 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 112.514 0.561 . . . . 65.109999999999999 112.514 -170.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.21 150.11 20.61 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.635 0.774 . . . . 64.140000000000001 111.105 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -58.78 -34.92 71.99 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.515 1.126 . . . . 73.040000000000006 111.088 171.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -60.55 -37.06 80.03 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.036 1.334 . . . . 73.430000000000007 111.805 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.412 ' HB3' HD22 ' B' ' 36' ' ' LEU . 65.5 m-20 -61.29 -38.44 86.8 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.335 0.654 . . . . 72.129999999999995 110.941 178.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -70.94 -38.29 72.87 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.348 -0.842 . . . . 73.209999999999994 111.4 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -72.35 -44.14 63.05 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.333 0.494 . . . . 70.310000000000002 112.333 -175.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 mp -66.75 -31.55 72.28 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.147 0.579 . . . . 74.140000000000001 111.1 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . 0.572 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -74.38 -50.48 9.89 Favored Glycine 0 CA--C 1.538 1.503 0 CA-C-N 116.144 -0.48 . . . . 54.409999999999997 113.256 173.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 55.5 tp -64.37 -31.41 72.6 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.977 0.911 . . . . 64.430000000000007 111.722 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.98 -31.21 71.77 Favored Glycine 0 CA--C 1.535 1.293 0 CA-C-N 115.869 -0.605 . . . . 42.420000000000002 112.802 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' TRP . . . . . 0.495 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 7.1 t-105 -77.0 -34.12 57.53 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-O 121.583 0.706 . . . . 71.299999999999997 111.185 174.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.489 HD23 HG11 ' B' ' 55' ' ' VAL . 6.6 mp -66.0 -30.67 71.26 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.873 -0.517 . . . . 74.319999999999993 110.746 174.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.56 -36.13 57.8 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.124 0.97 . . . . 73.219999999999999 111.253 172.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.523 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -64.51 -35.71 81.84 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 122.526 0.33 . . . . 64.310000000000002 111.864 -178.755 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -95.89 0.65 52.28 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.193 0.597 . . . . 72.019999999999996 112.401 175.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 63.39 15.06 8.42 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 124.381 1.072 . . . . 25.140000000000001 112.166 176.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -84.22 6.02 24.31 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.906 0.882 . . . . 60.399999999999999 112.403 -172.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.489 HG11 HD23 ' B' ' 49' ' ' LEU . 29.5 m -137.38 171.69 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.658 0.783 . . . . 51.549999999999997 110.511 165.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.512 HG13 ' NZ ' ' B' ' 67' ' ' LYS . 7.4 p -143.42 144.62 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 114.742 -1.117 . . . . 74.230000000000004 108.642 169.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . 0.511 HG22 HG12 ' B' ' 66' ' ' VAL . 74.5 p -100.3 156.21 17.36 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.082 0.553 . . . . 71.519999999999996 111.386 -168.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 47.0 t -146.82 160.46 42.25 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.908 0.883 . . . . 73.120000000000005 110.011 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -107.51 117.82 35.09 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.769 0.828 . . . . 72.140000000000001 108.833 174.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 40.5 t -114.91 107.87 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 122.889 0.476 . . . . 75.299999999999997 110.368 170.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 54.5 33.27 18.5 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 124.501 1.121 . . . . 73.129999999999995 112.885 174.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.88 13.43 60.83 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 115.934 -0.576 . . . . 64.349999999999994 114.023 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -115.36 146.57 41.44 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.502 0.721 . . . . 71.420000000000002 111.741 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 62.9 mt -74.93 108.28 6.41 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 C-N-CA 123.065 0.546 . . . . 71.129999999999995 110.387 174.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -115.5 104.16 11.47 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.63 1.172 . . . . 72.140000000000001 109.412 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.511 HG12 HG22 ' B' ' 57' ' ' THR . 34.7 m -109.71 156.51 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 123.078 0.551 . . . . 70.319999999999993 111.704 -176.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.512 ' NZ ' HG13 ' B' ' 56' ' ' VAL . 0.0 OUTLIER -158.66 154.93 27.24 Favored 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 122.924 0.49 . . . . 60.420000000000002 111.812 -174.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.474 HD23 HG12 ' B' ' 55' ' ' VAL . 39.8 mt -70.68 81.0 0.6 Allowed 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 112.72 0.637 . . . . 61.240000000000002 112.72 -174.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 23.8 t 57.55 16.82 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.58 2.112 0 C-N-CA 124.303 1.041 . . . . 65.549999999999997 112.38 176.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 88.5 mt -91.57 142.77 27.28 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.269 -0.895 . . . . 72.409999999999997 110.703 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -130.7 159.04 38.43 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 121.244 0.545 . . . . 64.420000000000002 112.185 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -165.47 159.83 17.27 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.605 1.162 . . . . 72.340000000000003 109.834 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -63.56 119.48 9.9 Favored 'General case' 0 CA--C 1.559 1.32 0 N-CA-C 113.406 0.891 . . . . 74.329999999999998 113.406 -172.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -163.07 93.74 0.8 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.582 1.153 . . . . 73.109999999999999 108.639 171.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -85.65 99.88 11.59 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-O 120.933 0.397 . . . . 71.209999999999994 111.691 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -170.5 125.56 0.73 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.011 0.925 . . . . 65.510000000000005 110.197 175.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 121.445 0.641 . . . . 71.200000000000003 111.725 178.43 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.488 1.461 0 N-CA-C 110.4 -0.222 . . . . 62.119999999999997 110.4 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm 66.68 24.67 9.99 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 124.81 1.244 . . . . 71.340000000000003 114.213 175.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.6 mtp -74.8 155.01 38.05 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 122.963 0.505 . . . . 75.329999999999998 111.151 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.03 -41.9 88.89 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.511 0.724 . . . . 74.129999999999995 110.291 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -59.25 -37.43 77.57 Favored 'General case' 0 CA--C 1.559 1.293 0 N-CA-C 113.031 0.752 . . . . 75.239999999999995 113.031 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -77.49 -43.76 31.1 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.571 0.749 . . . . 74.540000000000006 111.804 -175.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -70.02 -41.31 74.45 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 111.664 0.246 . . . . 53.409999999999997 111.664 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.69 -32.0 73.47 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.258 0.623 . . . . 53.509999999999998 110.712 174.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.14 -32.0 66.02 Favored Glycine 0 CA--C 1.541 1.676 0 CA-C-N 115.679 -0.691 . . . . 72.299999999999997 113.791 174.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.48 -45.46 65.64 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.413 0.685 . . . . 74.430000000000007 111.067 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.34 -37.96 85.17 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.768 0.827 . . . . 45.200000000000003 110.638 172.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.72 92.53 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.572 0.749 . . . . 75.349999999999994 112.93 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.69 -47.41 71.02 Favored Glycine 0 CA--C 1.536 1.401 0 O-C-N 123.832 0.708 . . . . 51.119999999999997 114.282 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.454 ' NE2' HD21 ' A' ' 36' ' ' LEU . 11.1 pt20 -74.51 -38.47 62.81 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.423 0.689 . . . . 73.430000000000007 112.789 -178.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.468 HD12 ' HA3' ' A' ' 45' ' ' GLY . 89.1 mt -69.37 -43.1 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 C-N-CA 122.63 0.372 . . . . 52.329999999999998 110.992 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -55.81 -45.25 78.33 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.722 0.809 . . . . 64.409999999999997 110.408 171.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -32.54 74.29 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 123.949 0.9 . . . . 73.129999999999995 111.271 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.77 -35.17 78.2 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.435 0.694 . . . . 64.420000000000002 111.04 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.4 mt -82.75 -16.03 49.55 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 123.703 0.801 . . . . 72.140000000000001 112.03 175.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -70.96 130.59 41.99 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 109.521 -0.548 . . . . 61.399999999999999 109.521 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.84 -38.62 3.16 Favored Glycine 0 CA--C 1.539 1.546 0 CA-C-N 116.246 -0.434 . . . . 73.230000000000004 112.825 -172.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.458 HG22 ' H ' ' A' ' 24' ' ' GLY . 2.6 m -88.64 149.01 23.75 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.763 0.825 . . . . 74.340000000000003 110.641 -177.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.31 1.06 55.95 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.045 0.538 . . . . 43.520000000000003 111.153 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.569 ' HA2' ' HB3' ' A' ' 67' ' ' LYS . . . 156.07 139.33 2.73 Favored Glycine 0 C--N 1.35 1.33 0 CA-C-O 120.076 -0.291 . . . . 72.109999999999999 112.683 -179.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.9 tp -151.63 150.49 30.33 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-N 117.183 0.492 . . . . 72.25 110.392 -177.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 79.5 p -88.53 156.61 18.98 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 122.894 0.478 . . . . 70.310000000000002 111.459 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -50.95 -40.75 58.27 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 124.885 1.274 . . . . 72.140000000000001 113.926 -174.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -69.73 -36.85 76.2 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.863 0.865 . . . . 62.350000000000001 112.517 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -77.81 -30.59 51.26 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.984 0.514 . . . . 73.129999999999995 111.091 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.5 mt -68.56 -45.46 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 123.364 0.666 . . . . 72.430000000000007 111.197 175.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -65.46 -25.5 67.52 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 122.527 0.331 . . . . 71.230000000000004 111.74 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -67.01 -50.25 62.72 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.078 0.551 . . . . 72.340000000000003 110.773 169.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.77 -34.14 77.49 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.765 0.826 . . . . 72.510000000000005 112.483 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.8 p -96.84 -7.19 34.18 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.37 1.068 . . . . 73.310000000000002 112.58 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? 65.88 30.31 9.96 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 124.752 1.221 . . . . 74.340000000000003 112.597 176.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.454 HD21 ' NE2' ' A' ' 14' ' ' GLN . 91.5 mt -75.91 129.6 37.2 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.237 0.615 . . . . 62.109999999999999 110.359 176.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -67.97 -49.52 61.18 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.342 0.657 . . . . 62.409999999999997 109.683 174.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.9 149.43 37.21 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.466 0.706 . . . . 63.229999999999997 112.023 -175.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.85 -22.08 66.51 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.378 1.071 . . . . 74.420000000000002 111.531 170.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -55.87 -37.55 68.96 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.733 0.813 . . . . 73.409999999999997 112.195 173.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.46 -34.15 75.44 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.163 0.585 . . . . 61.039999999999999 110.799 174.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -68.58 -33.25 73.74 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.812 -0.631 . . . . 62.329999999999998 111.28 174.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -72.28 -38.85 68.69 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 118.11 0.414 . . . . 73.040000000000006 111.973 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.36 -40.58 73.96 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 122.966 0.507 . . . . 64.040000000000006 111.105 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.468 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -66.36 -55.53 17.9 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-N 116.151 -0.477 . . . . 72.129999999999995 113.171 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.2 -33.98 74.34 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 124.14 0.976 . . . . 72.109999999999999 111.884 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.36 -33.69 87.93 Favored Glycine 0 N--CA 1.474 1.217 0 N-CA-C 112.147 -0.381 . . . . 73.120000000000005 112.147 175.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.509 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 51.2 t-105 -72.19 -39.4 68.65 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 122.943 0.497 . . . . 65.25 110.536 172.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.649 HD23 HG11 ' A' ' 55' ' ' VAL . 6.9 mp -57.05 -37.12 71.36 Favored 'General case' 0 N--CA 1.5 2.025 0 C-N-CA 123.409 0.683 . . . . 73.219999999999999 112.284 174.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.91 -42.96 80.32 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.704 0.802 . . . . 73.519999999999996 111.722 177.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.908 ' HB2' ' HB3' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -73.46 -22.69 60.11 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 120.561 0.22 . . . . 71.430000000000007 111.563 178.511 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.431 ' HB3' ' HE2' ' A' ' 54' ' ' LYS . 9.7 mm-40 -77.42 -22.16 51.98 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.056 0.943 . . . . 73.099999999999994 111.744 173.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.4 t0 64.61 22.27 12.6 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 124.288 1.035 . . . . 52.149999999999999 111.148 -177.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' A' ' 52' ' ' GLU . 53.8 mtmt -95.26 0.62 54.04 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.141 0.576 . . . . 73.409999999999997 112.431 -177.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.649 HG11 HD23 ' A' ' 49' ' ' LEU . 33.2 m -136.89 170.8 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 CA-C-O 121.987 0.898 . . . . 50.420000000000002 113.357 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.483 HG13 ' HE3' ' A' ' 67' ' ' LYS . 4.7 p -134.07 137.32 52.26 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 CA-C-N 113.812 -1.54 . . . . 71.540000000000006 109.681 165.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 82.6 p -103.56 156.84 17.47 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.593 0.757 . . . . 54.240000000000002 110.912 -175.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.2 t -153.95 171.01 19.68 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.876 0.87 . . . . 51.32 110.191 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -120.52 125.34 47.6 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.975 0.51 . . . . 71.25 111.101 176.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -110.25 107.39 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 109.087 -0.708 . . . . 75.099999999999994 109.087 167.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 52.45 48.44 22.6 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 125.372 1.469 . . . . 64.239999999999995 113.721 173.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.37 -3.63 86.88 Favored Glycine 0 C--N 1.352 1.429 0 N-CA-C 114.914 0.726 . . . . 64.030000000000001 114.914 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -117.16 152.02 35.64 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 117.626 0.713 . . . . 64.010000000000005 111.246 -175.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.1 mt -77.89 118.18 24.4 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.152 0 C-N-CA 123.054 0.542 . . . . 44.439999999999998 111.673 -173.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -117.44 110.89 18.56 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.09 1.356 . . . . 73.549999999999997 108.941 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.0 m -120.26 159.6 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.765 -0.584 . . . . 74.340000000000003 112.149 -175.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.569 ' HB3' ' HA2' ' A' ' 24' ' ' GLY . 0.2 OUTLIER -154.42 167.59 29.5 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.45 0.7 . . . . 74.239999999999995 109.805 178.537 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.526 HD23 HG12 ' A' ' 55' ' ' VAL . 58.8 mt -71.01 171.32 11.05 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.619 0.247 . . . . 71.319999999999993 110.934 173.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.4 t -69.07 94.39 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 N-CA-C 109.202 -0.666 . . . . 65.319999999999993 109.202 172.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.448 HD22 ' HB3' ' A' ' 75' ' ' HIS . 38.0 mt -74.49 93.47 2.47 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.697 -0.683 . . . . 74.140000000000001 110.679 -173.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -117.86 -38.67 3.21 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.7 0.8 . . . . 74.140000000000001 110.846 177.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -96.68 145.85 25.4 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.465 0.706 . . . . 72.140000000000001 111.638 -175.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -61.11 -14.97 28.08 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 114.403 1.26 . . . . 74.230000000000004 114.403 -174.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -67.01 -19.92 65.78 Favored 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 123.545 0.738 . . . . 74.319999999999993 112.41 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.448 ' HB3' HD22 ' A' ' 70' ' ' LEU . 25.1 m80 -107.99 13.33 26.22 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.741 0.816 . . . . 74.140000000000001 111.945 174.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -104.95 113.2 26.65 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.019 0.528 . . . . 73.420000000000002 110.5 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 45.5 m80 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 121.543 0.687 . . . . 73.5 110.019 175.641 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.55 0.953 0 CA-C-O 121.023 0.44 . . . . 64.329999999999998 111.377 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -125.74 166.91 15.92 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.922 0.889 . . . . 61.229999999999997 110.065 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 72.2 mtm -79.84 176.1 10.03 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 121.455 0.645 . . . . 72.239999999999995 112.337 -177.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.453 ' H ' HD22 ' B' ' 4' ' ' LEU . 2.4 mm? -63.8 -13.93 48.54 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.919 0.888 . . . . 73.219999999999999 112.18 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -62.72 -42.33 99.6 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.201 1.0 . . . . 74.25 110.859 171.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -62.54 -41.59 98.97 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.096 -0.956 . . . . 71.510000000000005 111.06 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -55.06 -55.17 33.97 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.604 -0.725 . . . . 75.030000000000001 111.255 172.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.73 -34.42 65.14 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.807 0.843 . . . . 71.200000000000003 112.239 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.13 -40.29 42.64 Favored Glycine 0 CA--C 1.541 1.68 0 CA-C-N 115.569 -0.741 . . . . 72.239999999999995 113.471 176.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.89 83.82 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.646 0.778 . . . . 32.109999999999999 111.793 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.401 HD13 ' O ' ' B' ' 41' ' ' ASP . 70.8 mt -70.5 -38.48 74.34 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.925 0.89 . . . . 54.530000000000001 110.465 175.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.01 -42.64 80.68 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.512 0.725 . . . . 64.219999999999999 112.685 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.32 -55.76 27.4 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-N 115.707 -0.678 . . . . 71.319999999999993 113.664 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -69.4 -36.92 77.23 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 112.737 0.643 . . . . 73.5 112.737 -175.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.528 ' HA ' HG21 ' B' ' 34' ' ' THR . 71.2 mt -64.02 -46.46 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 123.172 0.589 . . . . 72.010000000000005 111.162 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -60.84 -46.38 90.78 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 122.809 0.444 . . . . 75.030000000000001 111.23 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.65 -27.33 69.15 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.695 0.798 . . . . 71.430000000000007 112.413 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.22 -34.01 77.04 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.047 0.539 . . . . 55.420000000000002 111.828 174.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.579 HD21 HG23 ' B' ' 66' ' ' VAL . 8.6 mp -89.73 -15.6 32.13 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.555 0.742 . . . . 73.430000000000007 111.848 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -64.76 119.37 10.48 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.51 0.324 . . . . 71.239999999999995 110.673 -178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.18 -38.09 3.49 Favored Glycine 0 CA--C 1.537 1.457 0 CA-C-N 116.461 -0.336 . . . . 74.209999999999994 113.622 -173.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.9 p -84.96 171.43 12.14 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 117.293 0.547 . . . . 55.340000000000003 111.827 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -87.74 5.39 40.16 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.526 0.73 . . . . 64.439999999999998 111.356 173.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.504 ' HA3' ' HB3' ' B' ' 67' ' ' LYS . . . 124.03 154.72 8.99 Favored Glycine 0 C--N 1.353 1.515 0 C-N-CA 123.126 0.393 . . . . 64.120000000000005 113.677 -178.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 96.4 mt -133.83 156.19 48.48 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.82 0.848 . . . . 74.340000000000003 110.645 -177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 70.7 p -85.55 159.48 19.88 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.87 0.468 . . . . 64.400000000000006 110.273 172.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -53.69 -36.38 62.12 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.923 0.889 . . . . 74.209999999999994 112.632 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -57.18 -50.76 71.83 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.916 0.886 . . . . 64.430000000000007 112.362 172.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -67.49 -37.58 83.06 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.742 0.817 . . . . 75.019999999999996 111.817 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.2 mt -71.77 -45.33 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.603 0.761 . . . . 62.420000000000002 111.328 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.654 ' HG3' ' HB2' ' B' ' 36' ' ' LEU . 62.2 tttm -59.42 -44.12 92.94 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.57 0.748 . . . . 63.140000000000001 111.691 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -67.25 -44.01 80.48 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 122.86 0.464 . . . . 51.130000000000003 111.557 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.37 -49.7 74.49 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.079 0.552 . . . . 64.150000000000006 112.177 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.528 HG21 ' HA ' ' B' ' 15' ' ' ILE . 66.9 p -85.72 -9.53 57.02 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.683 0.793 . . . . 60.329999999999998 112.3 -178.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? 64.57 58.7 1.01 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.425 1.09 . . . . 74.129999999999995 111.962 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.654 ' HB2' ' HG3' ' B' ' 31' ' ' LYS . 67.1 mt -84.3 144.23 29.01 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 115.36 -0.836 . . . . 72.129999999999995 110.755 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -75.55 -37.87 59.67 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.498 0.719 . . . . 73.209999999999994 109.832 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.49 165.46 27.18 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.855 -1.066 . . . . 62.409999999999997 110.619 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.59 -23.83 65.43 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.73 0.812 . . . . 64.010000000000005 111.58 174.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -54.77 -34.09 62.19 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.046 0.938 . . . . 51.539999999999999 112.226 172.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.402 ' HB3' HD22 ' B' ' 36' ' ' LEU . 38.1 m-20 -64.57 -35.55 81.35 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.107 0.563 . . . . 61.229999999999997 110.983 176.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -68.52 -43.69 76.25 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.434 -0.348 . . . . 71.519999999999996 110.696 177.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -65.64 -43.73 88.55 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.982 0.513 . . . . 75.120000000000005 112.175 -175.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.27 -42.34 84.0 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.25 0.62 . . . . 62.520000000000003 111.437 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . 0.465 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -64.41 -44.1 95.8 Favored Glycine 0 CA--C 1.538 1.489 0 CA-C-N 116.52 -0.309 . . . . 75.150000000000006 113.171 175.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.1 tp -65.07 -32.54 74.31 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 124.154 0.981 . . . . 73.409999999999997 111.625 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.32 -31.91 80.41 Favored Glycine 0 N--CA 1.475 1.272 0 CA-C-N 115.863 -0.608 . . . . 75.109999999999999 112.567 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' TRP . . . . . 0.46 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 7.9 t-105 -76.72 -32.11 57.6 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 123.284 0.633 . . . . 75.430000000000007 110.611 175.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.549 ' HB3' HG22 ' B' ' 55' ' ' VAL . 5.9 mp -66.31 -30.1 70.45 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.086 0.554 . . . . 74.209999999999994 111.329 171.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.18 -38.18 75.32 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.779 0.832 . . . . 75.349999999999994 112.714 175.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.908 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 16.5 ptm180 -69.06 -28.91 66.95 Favored 'General case' 0 N--CA 1.5 2.032 0 CA-C-N 118.386 0.539 . . . . 72.540000000000006 111.764 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -90.8 -18.41 24.95 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.103 0.561 . . . . 72.329999999999998 110.622 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 30.1 t70 66.02 25.01 10.99 Favored 'General case' 0 CA--C 1.568 1.659 0 CA-C-O 122.363 1.077 . . . . 73.439999999999998 110.939 176.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -78.23 -10.84 59.83 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 115.519 -0.764 . . . . 74.299999999999997 112.038 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.549 HG22 ' HB3' ' B' ' 49' ' ' LEU . 33.2 m -133.08 164.36 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 CA-C-O 121.321 0.582 . . . . 52.140000000000001 111.612 178.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 6.6 p -135.35 143.99 35.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 C-N-CA 124.233 1.013 . . . . 53.0 109.401 174.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 65.6 p -100.58 142.83 31.51 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.369 0.667 . . . . 73.109999999999999 110.827 -172.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 59.9 m -142.3 153.86 44.24 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.204 1.002 . . . . 53.310000000000002 109.929 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -103.47 104.95 15.09 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.049 0.539 . . . . 74.040000000000006 110.044 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 55.2 t -105.24 109.34 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 109.464 -0.569 . . . . 65.019999999999996 109.464 170.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 57.48 38.68 28.21 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.152 1.381 . . . . 64.319999999999993 112.432 174.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.04 -28.29 8.95 Favored Glycine 0 CA--C 1.544 1.884 0 N-CA-C 114.849 0.7 . . . . 65.239999999999995 114.849 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -92.7 169.29 10.61 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 113.596 0.962 . . . . 61.299999999999997 113.596 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 63.3 mt -81.2 127.37 39.61 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 CA-C-N 114.86 -1.063 . . . . 71.030000000000001 111.788 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -126.74 111.52 14.34 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.227 1.411 . . . . 74.510000000000005 107.846 173.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.579 HG23 HD21 ' B' ' 19' ' ' LEU . 31.9 m -112.3 153.47 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-O 120.825 0.345 . . . . 71.530000000000001 110.916 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.504 ' HB3' ' HA3' ' B' ' 24' ' ' GLY . 21.4 pttp -150.81 152.16 33.37 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 116.077 -0.51 . . . . 73.030000000000001 111.357 -178.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.427 HD23 HG12 ' B' ' 55' ' ' VAL . 31.1 mt -69.37 129.45 39.81 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 116.099 -0.5 . . . . 52.450000000000003 111.491 -175.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 49.6 t -74.11 94.59 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 N-CA-C 109.257 -0.646 . . . . 63.310000000000002 109.257 171.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.47 -45.55 83.24 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.718 -0.673 . . . . 74.230000000000004 109.862 174.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -162.99 143.97 9.64 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.842 0.857 . . . . 73.109999999999999 108.692 174.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -71.37 -76.98 0.1 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.244 0.618 . . . . 61.149999999999999 111.592 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 33.7 p80 38.14 117.1 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 126.228 1.811 . . . . 74.510000000000005 115.377 -172.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -62.59 151.87 36.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.755 -0.591 . . . . 65.519999999999996 110.04 174.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 71.14 113.84 0.05 Allowed 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 124.954 1.302 . . . . 74.340000000000003 110.809 -166.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -122.5 144.74 48.88 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.493 0.717 . . . . 72.319999999999993 110.855 177.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 9.5 t60 . . . . . 0 N--CA 1.484 1.234 0 C-N-CA 123.31 0.644 . . . . 51.030000000000001 110.241 -178.749 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 mmt . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 113.11 0.781 . . . . 70.450000000000003 113.11 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -79.22 73.97 5.81 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-O 122.352 1.072 . . . . 73.299999999999997 111.185 -177.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.539 ' HB2' ' HG2' ' A' ' 6' ' ' GLU . 84.4 mtp -121.7 145.16 48.3 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.357 -1.292 . . . . 64.430000000000007 109.116 177.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.428 HD13 HG23 ' B' ' 64' ' ' ILE . 8.8 tt -53.25 -50.24 65.19 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.596 0.758 . . . . 55.340000000000003 111.659 -178.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -55.96 -44.26 78.29 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.518 1.127 . . . . 34.520000000000003 112.495 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.539 ' HG2' ' HB2' ' A' ' 3' ' ' MET . 23.9 mm-40 -71.81 -47.64 51.95 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.148 0.579 . . . . 61.439999999999998 111.757 -175.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -20.98 60.52 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 116.33 -0.395 . . . . 53.109999999999999 111.722 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.83 -38.07 89.27 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.123 0.569 . . . . 73.530000000000001 110.772 170.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.5 -35.47 81.53 Favored Glycine 0 CA--C 1.539 1.534 0 CA-C-N 115.791 -0.641 . . . . 73.030000000000001 113.8 173.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.05 80.53 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.253 0.621 . . . . 53.200000000000003 111.778 175.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 41' ' ' ASP . 75.6 mt -74.75 -32.63 62.14 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.86 0.864 . . . . 61.009999999999998 111.152 174.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.516 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -55.17 -41.28 71.66 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.619 0.768 . . . . 25.449999999999999 112.909 -178.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.37 -49.09 65.77 Favored Glycine 0 CA--C 1.534 1.249 0 CA-C-N 115.494 -0.776 . . . . 74.219999999999999 112.763 172.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -58.93 -53.4 58.84 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.907 0.883 . . . . 73.230000000000004 112.531 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.25 -39.29 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 C-N-CA 123.044 0.538 . . . . 75.510000000000005 110.551 -177.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -61.62 -43.09 99.52 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.018 0.527 . . . . 72.310000000000002 111.561 175.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.63 -23.34 67.03 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.959 0.904 . . . . 72.230000000000004 112.386 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.83 -40.71 63.12 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 122.464 0.306 . . . . 71.200000000000003 111.29 171.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.438 HD21 HG13 ' A' ' 66' ' ' VAL . 10.8 mp -82.45 -27.75 31.72 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 113.745 1.017 . . . . 71.219999999999999 113.745 -174.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -67.59 135.27 52.66 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 118.707 0.685 . . . . 70.310000000000002 112.124 -174.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.35 7.11 71.79 Favored Glycine 0 CA--C 1.54 1.625 0 CA-C-N 115.885 -0.598 . . . . 30.129999999999999 113.859 -175.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.5 m -122.02 157.61 30.98 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.289 1.036 . . . . 61.219999999999999 110.215 -175.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -69.74 -4.8 21.38 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 123.748 0.819 . . . . 73.519999999999996 112.366 175.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.43 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 112.1 155.98 13.02 Favored Glycine 0 C--N 1.343 0.926 0 C-N-CA 123.407 0.527 . . . . 73.040000000000006 111.808 -171.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.2 mt -130.9 160.01 35.74 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.138 0.494 . . . . 63.240000000000002 111.264 -176.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.1 p -86.72 165.45 16.07 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.228 -0.897 . . . . 71.329999999999998 110.158 171.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 17.3 pt20 -51.59 -43.74 62.57 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.209 0.604 . . . . 73.310000000000002 112.519 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -59.23 -47.7 84.37 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.105 0.962 . . . . 62.229999999999997 113.006 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -62.72 -42.01 99.45 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.177 0.591 . . . . 70.010000000000005 111.642 -178.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.7 mt -67.23 -38.72 81.54 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-N 115.06 -0.973 . . . . 72.030000000000001 111.379 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 27' ' ' GLN . 30.6 mtpp -56.79 -41.54 77.89 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 122.997 0.519 . . . . 62.310000000000002 111.818 175.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -68.91 -39.76 79.49 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.057 0.543 . . . . 75.019999999999996 111.68 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.84 -44.58 66.17 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 121.421 0.629 . . . . 60.240000000000002 111.803 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.8 p -82.51 -19.37 38.84 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 124.3 1.04 . . . . 61.009999999999998 112.357 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt 65.39 32.61 9.55 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.757 1.223 . . . . 74.439999999999998 111.997 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.8 mt -88.52 115.41 26.02 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.954 0.902 . . . . 63.439999999999998 110.16 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -70.41 -43.13 70.64 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.158 0.983 . . . . 61.43 110.987 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -95.39 141.92 28.38 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.031 0.532 . . . . 65.0 111.62 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -66.24 -24.55 66.61 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.522 0.729 . . . . 64.209999999999994 111.578 173.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.405 ' O ' HD13 ' A' ' 44' ' ' LEU . 47.1 mmtm -58.38 -36.13 73.04 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.876 0.871 . . . . 70.200000000000003 112.42 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' O ' HD13 ' A' ' 11' ' ' LEU . 11.7 m-20 -70.06 -36.91 75.32 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.051 0.54 . . . . 74.329999999999998 110.389 174.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -64.64 -41.74 95.94 Favored 'General case' 0 CA--C 1.555 1.165 0 CA-C-N 115.693 -0.685 . . . . 71.209999999999994 111.72 176.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -64.31 -37.13 86.41 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.207 0.603 . . . . 74.120000000000005 112.123 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 40' ' ' LYS . 9.4 mp -70.44 -47.26 61.54 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.397 0.679 . . . . 74.420000000000002 111.358 176.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.427 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -61.97 -55.14 29.87 Favored Glycine 0 C--N 1.352 1.423 0 CA-C-N 116.393 -0.367 . . . . 75.219999999999999 113.531 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.654 HD11 HG21 ' A' ' 66' ' ' VAL . 63.7 tp -58.28 -38.48 77.08 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.092 0.957 . . . . 64.439999999999998 111.903 175.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.55 -30.94 79.28 Favored Glycine 0 N--CA 1.472 1.089 0 CA-C-N 115.497 -0.774 . . . . 62.350000000000001 112.79 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.516 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 30.4 t-105 -77.08 -24.5 51.88 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.336 0.654 . . . . 72.25 111.34 175.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.453 HD23 HG11 ' A' ' 55' ' ' VAL . 6.1 mp -72.78 -36.43 67.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.927 -0.483 . . . . 73.329999999999998 110.342 169.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.438 HD23 HG23 ' A' ' 55' ' ' VAL . 98.3 mt -67.41 -38.58 84.85 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 115.576 -0.738 . . . . 54.009999999999998 110.396 175.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.66 ' HB2' ' HB3' ' B' ' 51' ' ' ARG . 2.3 ppt_? -66.04 -30.06 70.53 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.326 0.65 . . . . 75.329999999999998 111.362 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -96.56 3.87 52.37 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 112.843 0.683 . . . . 75.420000000000002 112.843 176.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 64.49 15.64 9.73 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 124.259 1.023 . . . . 71.25 112.331 174.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -80.54 -9.28 59.78 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.462 0.705 . . . . 72.450000000000003 112.826 -172.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.526 HG12 HD23 ' A' ' 68' ' ' LEU . 35.8 m -137.29 162.13 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-O 121.456 0.646 . . . . 62.350000000000001 112.063 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.5 p -129.98 134.01 63.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 124.249 1.019 . . . . 71.239999999999995 110.226 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.4 p -111.27 132.98 53.94 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.785 0.834 . . . . 75.230000000000004 111.472 -172.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.7 t -122.88 158.67 29.84 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.288 1.035 . . . . 75.019999999999996 110.294 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -99.86 103.61 15.22 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.239 0.616 . . . . 75.430000000000007 109.441 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.3 t -108.42 107.35 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-O 121.13 0.49 . . . . 72.219999999999999 110.298 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 49.28 31.14 3.52 Favored 'General case' 0 CA--C 1.561 1.365 0 C-N-CA 126.058 1.743 . . . . 52.229999999999997 114.607 173.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.64 5.03 57.89 Favored Glycine 0 CA--C 1.539 1.541 0 N-CA-C 115.689 1.036 . . . . 62.420000000000002 115.689 176.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -126.3 161.28 28.15 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 118.743 1.272 . . . . 72.430000000000007 111.559 174.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 55.9 mt -77.64 113.21 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-N 115.674 -0.694 . . . . 71.200000000000003 111.344 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -106.58 132.15 52.92 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 108.562 -0.903 . . . . 74.329999999999998 108.562 167.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.654 HG21 HD11 ' A' ' 46' ' ' LEU . 8.0 p -139.83 150.48 22.05 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 C-N-CA 122.572 0.349 . . . . 72.0 111.627 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.43 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 20.6 ptmt -147.96 157.46 43.53 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.323 0.649 . . . . 71.120000000000005 111.113 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.526 HD23 HG12 ' A' ' 55' ' ' VAL . 60.1 mt -67.05 137.16 56.21 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.588 0.355 . . . . 74.349999999999994 111.648 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.7 t -76.93 86.48 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 N-CA-C 108.753 -0.832 . . . . 63.25 108.753 165.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.6 mt -76.5 129.37 36.4 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 116.115 -0.493 . . . . 71.510000000000005 110.338 177.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -65.49 89.88 0.1 Allowed 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 121.801 0.81 . . . . 72.25 112.41 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -94.2 171.15 9.01 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 115.0 -1.0 . . . . 62.509999999999998 110.217 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -69.52 120.2 14.94 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 109.704 -0.48 . . . . 65.120000000000005 109.704 170.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -58.38 98.66 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.716 0.769 . . . . 74.400000000000006 112.905 -169.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -84.91 69.75 10.81 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 115.573 -0.739 . . . . 74.439999999999998 110.337 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -145.85 -172.68 3.96 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.82 0.848 . . . . 73.329999999999998 110.833 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 19.7 p80 . . . . . 0 N--CA 1.478 0.952 0 C-N-CA 123.785 0.834 . . . . 72.450000000000003 110.359 175.174 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 CA--C 1.548 0.874 0 N-CA-C 111.952 0.352 . . . . 74.310000000000002 111.952 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -75.31 77.65 2.41 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.216 0.531 . . . . 71.310000000000002 110.453 176.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.454 ' HB2' ' HB2' ' B' ' 6' ' ' GLU . 33.7 mmt -84.27 125.61 32.4 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.825 0.45 . . . . 74.430000000000007 110.329 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 mp -66.09 -20.37 66.14 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 121.319 0.58 . . . . 63.240000000000002 110.594 175.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -75.48 -35.18 60.89 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 123.969 0.908 . . . . 73.540000000000006 111.182 172.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.454 ' HB2' ' HB2' ' B' ' 3' ' ' MET . 11.1 tp10 -75.0 -47.25 30.1 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 122.799 0.44 . . . . 75.030000000000001 111.615 -175.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -34.96 64.4 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.421 0.688 . . . . 74.310000000000002 111.408 175.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.86 -32.5 71.92 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.273 1.029 . . . . 61.200000000000003 111.64 -176.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.99 -40.16 44.18 Favored Glycine 0 CA--C 1.535 1.339 0 CA-C-N 115.041 -0.982 . . . . 62.520000000000003 113.888 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.11 -47.49 74.01 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.007 0.523 . . . . 72.200000000000003 111.474 175.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.89 -30.63 71.68 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.875 0.87 . . . . 73.319999999999993 111.514 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.486 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -58.25 -45.78 87.17 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.093 0.557 . . . . 73.230000000000004 112.027 175.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.19 -42.71 98.74 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.645 -0.707 . . . . 60.32 113.368 176.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -72.89 -37.55 67.24 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.618 0.767 . . . . 64.319999999999993 112.026 -176.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 68.4 mt -69.91 -47.08 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 C-N-CA 123.574 0.75 . . . . 74.420000000000002 111.389 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -66.01 -47.46 74.39 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 123.085 0.554 . . . . 75.209999999999994 111.178 -178.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -62.38 -30.02 70.9 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 112.523 0.564 . . . . 61.119999999999997 112.523 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.43 -30.15 71.19 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.871 0.468 . . . . 53.32 111.569 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.52 HD21 HG12 ' B' ' 30' ' ' ILE . 80.0 mt -93.44 -14.71 26.41 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 123.861 0.864 . . . . 72.109999999999999 112.536 178.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -65.12 120.59 12.96 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 122.707 0.403 . . . . 61.329999999999998 110.586 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.81 -33.52 6.5 Favored Glycine 0 CA--C 1.536 1.359 0 CA-C-N 115.693 -0.685 . . . . 61.310000000000002 113.142 -175.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 12.1 p -83.05 173.0 12.13 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.341 0.656 . . . . 65.109999999999999 111.443 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -81.51 1.32 34.0 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.981 0.512 . . . . 70.310000000000002 112.324 175.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.65 139.86 11.07 Favored Glycine 0 C--N 1.349 1.288 0 C-N-CA 123.028 0.346 . . . . 62.509999999999998 112.408 -173.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.483 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 83.8 mt -127.91 166.04 19.06 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 122.996 0.518 . . . . 71.230000000000004 111.702 -173.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' B' ' 65' ' ' PHE . 82.2 p -81.76 169.17 17.25 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 122.896 0.478 . . . . 73.0 111.078 178.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.432 ' HB3' ' HB ' ' B' ' 64' ' ' ILE . 4.7 pt20 -53.52 -38.82 64.12 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.383 0.673 . . . . 74.430000000000007 112.494 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -61.48 -45.02 96.0 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.797 0.839 . . . . 72.340000000000003 111.509 178.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.483 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 18.8 mm-40 -74.25 -28.23 61.12 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.613 0.765 . . . . 71.340000000000003 112.596 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.52 HG12 HD21 ' B' ' 19' ' ' LEU . 89.3 mt -72.48 -47.59 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 122.981 0.512 . . . . 65.310000000000002 110.558 175.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -59.99 -25.71 65.47 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.117 0.967 . . . . 72.530000000000001 111.808 173.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -68.7 -56.45 8.11 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 123.546 0.738 . . . . 71.310000000000002 110.798 172.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.06 -35.83 78.86 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 113.177 0.806 . . . . 53.100000000000001 113.177 -173.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 65.0 p -93.21 -13.0 28.89 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.71 0.804 . . . . 73.409999999999997 112.097 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm 67.88 19.2 9.55 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 125.048 1.339 . . . . 62.240000000000002 111.856 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -76.77 82.15 3.37 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.124 0.57 . . . . 74.329999999999998 110.447 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -67.22 -19.72 65.58 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.495 0.718 . . . . 74.409999999999997 112.408 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.59 135.4 33.51 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 109.781 -0.452 . . . . 60.119999999999997 109.781 172.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -64.18 -35.16 79.87 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.352 1.061 . . . . 72.209999999999994 111.621 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -57.38 -46.79 83.05 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.054 1.341 . . . . 71.120000000000005 113.107 -175.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.12 -32.74 74.42 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.647 0.779 . . . . 72.310000000000002 111.409 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -65.26 -48.21 74.03 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 116.027 -0.533 . . . . 61.229999999999997 111.259 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -63.37 -41.4 98.81 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 122.919 0.488 . . . . 72.530000000000001 112.219 -174.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -69.1 -44.56 72.21 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.166 0.586 . . . . 53.520000000000003 111.445 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . 0.443 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -61.73 -46.02 95.06 Favored Glycine 0 N--CA 1.479 1.538 0 O-C-N 123.098 0.249 . . . . 72.540000000000006 112.903 175.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.04 -37.33 84.54 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.243 1.017 . . . . 73.430000000000007 111.814 177.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.24 -31.1 77.94 Favored Glycine 0 N--CA 1.474 1.194 0 CA-C-N 115.958 -0.565 . . . . 51.340000000000003 112.783 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' TRP . . . . . 0.486 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 8.8 t-105 -77.21 -30.59 54.77 Favored 'General case' 0 CA--C 1.561 1.369 0 C-N-CA 123.538 0.735 . . . . 74.120000000000005 111.153 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.678 HD23 HG11 ' B' ' 55' ' ' VAL . 5.2 mp -62.44 -30.78 71.48 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.022 0.439 . . . . 74.319999999999993 110.953 171.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 37.6 mt -70.45 -34.98 73.07 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-N 115.498 -0.774 . . . . 74.329999999999998 112.368 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.66 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 8.3 ptp180 -62.61 -35.6 80.08 Favored 'General case' 0 N--CA 1.504 2.258 0 N-CA-C 113.16 0.8 . . . . 60.229999999999997 113.16 -178.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.65 ' HG3' ' HG3' ' B' ' 51' ' ' ARG . 46.7 mt-10 -94.61 -8.34 38.33 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.812 0.445 . . . . 73.329999999999998 111.188 -177.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 63.94 28.26 14.47 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.229 1.012 . . . . 65.299999999999997 110.617 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.43 ' HD2' ' HB2' ' B' ' 52' ' ' GLU . 15.6 ptmt -84.99 -3.24 58.7 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.897 0.879 . . . . 74.329999999999998 112.066 -171.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.678 HG11 HD23 ' B' ' 49' ' ' LEU . 34.4 m -133.35 158.41 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 C-N-CA 123.411 0.684 . . . . 51.119999999999997 112.544 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 79.6 t -110.37 124.24 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.984 0.914 . . . . 64.439999999999998 109.407 167.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 76.0 p -104.27 133.36 49.32 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.891 0.476 . . . . 64.200000000000003 109.995 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 77.4 p -141.31 161.94 36.68 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.303 0.641 . . . . 75.319999999999993 110.401 -177.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -105.62 106.86 17.56 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.049 0.94 . . . . 75.200000000000003 110.009 -174.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 79.4 t -118.14 106.99 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 CA-C-O 120.843 0.354 . . . . 54.240000000000002 110.177 175.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 50.38 38.69 18.65 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 125.52 1.528 . . . . 72.329999999999998 113.174 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.72 -22.31 39.91 Favored Glycine 0 CA--C 1.543 1.787 0 CA-C-N 115.649 -0.705 . . . . 45.329999999999998 114.276 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -83.38 142.94 30.65 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.694 0.759 . . . . 75.129999999999995 112.914 -178.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.432 ' HB ' ' HB3' ' B' ' 27' ' ' GLN . 67.3 mt -74.71 97.3 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 CA-C-N 114.453 -1.248 . . . . 54.43 110.309 173.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' PHE . . . . . 0.458 ' HA ' ' HA ' ' B' ' 26' ' ' THR . 17.0 t80 -90.88 106.43 18.51 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.571 0.748 . . . . 75.019999999999996 110.34 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 39.9 t -106.46 117.21 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.462 0.705 . . . . 64.140000000000001 111.121 -174.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -109.0 165.19 11.77 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.837 0.855 . . . . 62.240000000000002 109.473 174.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 25.1 mt -99.62 140.09 34.32 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-N 118.393 0.542 . . . . 74.209999999999994 110.918 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 98.2 t -71.18 88.42 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 CA-C-O 121.426 0.632 . . . . 74.310000000000002 109.616 171.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.51 HD23 ' H ' ' B' ' 70' ' ' LEU . 2.1 pt? -66.99 86.7 0.14 Allowed 'General case' 0 CA--C 1.562 1.439 0 CA-C-N 115.135 -0.939 . . . . 74.030000000000001 110.694 176.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -71.45 106.98 4.15 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 121.628 0.728 . . . . 65.219999999999999 111.711 -176.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -129.58 93.97 3.66 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 108.034 -1.099 . . . . 70.409999999999997 108.034 171.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -73.07 75.19 1.23 Allowed 'General case' 0 CA--C 1.56 1.34 0 CA-C-O 121.996 0.903 . . . . 73.319999999999993 111.876 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -85.4 83.47 7.94 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 115.473 -0.785 . . . . 72.519999999999996 112.011 -174.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -75.78 -22.83 56.03 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 116.089 -0.505 . . . . 61.530000000000001 110.961 170.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 53.6 t60 61.17 35.89 18.28 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.652 1.181 . . . . 65.420000000000002 111.579 174.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 19.3 t60 . . . . . 0 N--CA 1.473 0.687 0 C-N-CA 123.675 0.79 . . . . 74.239999999999995 110.228 -178.234 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 112.432 0.53 . . . . 72.129999999999995 112.432 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.5 tptt 63.59 16.31 9.56 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 124.767 1.227 . . . . 73.109999999999999 112.353 176.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.29 148.4 22.91 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.531 0.732 . . . . 75.230000000000004 110.589 -172.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.52 HD12 ' HD3' ' A' ' 7' ' ' LYS . 34.7 tp -54.86 -30.14 57.11 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 123.897 0.879 . . . . 64.310000000000002 111.797 174.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -65.99 -40.49 91.21 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 124.128 0.971 . . . . 74.540000000000006 112.275 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.16 -51.71 68.42 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.478 0.711 . . . . 64.329999999999998 111.683 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.52 ' HD3' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -66.32 -42.61 87.99 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.841 -0.618 . . . . 62.450000000000003 111.313 177.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 7' ' ' LYS . . . -63.57 -32.48 73.96 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.52 0.728 . . . . 64.120000000000005 111.429 -176.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.89 -33.08 58.12 Favored Glycine 0 CA--C 1.536 1.405 0 CA-C-N 114.995 -1.002 . . . . 65.530000000000001 113.386 176.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.71 -39.42 64.35 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.348 0.659 . . . . 72.310000000000002 111.123 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.422 HD23 ' NE2' ' A' ' 14' ' ' GLN . 91.3 mt -65.38 -36.34 83.68 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.78 0.832 . . . . 72.319999999999993 110.287 173.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.97 -45.24 87.05 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.705 0.802 . . . . 74.099999999999994 111.93 174.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.43 -40.41 97.58 Favored Glycine 0 CA--C 1.54 1.604 0 CA-C-N 115.73 -0.668 . . . . 53.009999999999998 113.549 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.422 ' NE2' HD23 ' A' ' 11' ' ' LEU . 49.8 mt-30 -69.57 -46.11 67.12 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.736 0.814 . . . . 74.120000000000005 111.942 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.667 HG23 HG21 ' A' ' 30' ' ' ILE . 68.1 mt -68.03 -38.43 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 123.969 0.908 . . . . 52.409999999999997 111.645 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -64.14 -46.08 85.66 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 122.791 0.436 . . . . 75.150000000000006 110.893 173.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -63.2 -26.27 68.72 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 112.63 0.604 . . . . 74.129999999999995 112.63 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.01 84.84 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 121.093 0.473 . . . . 54.539999999999999 110.584 171.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.48 -22.02 57.57 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.182 0.993 . . . . 44.240000000000002 112.24 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -76.76 126.66 31.36 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.185 0.594 . . . . 60.439999999999998 109.649 -178.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.28 -4.06 66.91 Favored Glycine 0 CA--C 1.538 1.472 0 CA-C-N 116.217 -0.447 . . . . 51.340000000000003 112.945 -170.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.3 p -126.67 168.63 14.09 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.93 0.892 . . . . 71.340000000000003 110.281 174.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -100.59 7.81 43.79 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.111 0.565 . . . . 73.219999999999999 111.81 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.71 136.05 2.72 Favored Glycine 0 C--N 1.35 1.342 0 N-CA-C 113.885 0.314 . . . . 62.299999999999997 113.885 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.483 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 84.2 mt -132.18 160.24 36.67 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.598 1.159 . . . . 60.020000000000003 110.268 177.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.3 p -88.59 -178.0 5.71 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.339 0.655 . . . . 72.109999999999999 111.161 171.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -56.11 -48.19 76.64 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.698 0.399 . . . . 62.130000000000003 111.891 176.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -49.99 75.57 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.576 0.75 . . . . 71.349999999999994 111.987 -178.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.483 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 51.4 mt-30 -61.46 -35.33 77.31 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.613 0.765 . . . . 64.019999999999996 112.332 -174.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.667 HG21 HG23 ' A' ' 15' ' ' ILE . 76.5 mt -74.81 -49.8 28.02 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 C-N-CA 123.154 0.582 . . . . 73.430000000000007 111.345 173.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -56.74 -27.19 58.85 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 124.817 1.247 . . . . 75.400000000000006 111.873 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -67.92 -52.72 32.93 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.51 1.124 . . . . 70.540000000000006 111.524 172.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.16 -40.17 82.4 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.484 0.714 . . . . 53.310000000000002 112.181 -176.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.7 p -84.28 -26.36 28.63 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.446 1.098 . . . . 61.140000000000001 112.143 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt 59.83 37.73 21.7 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 124.662 1.185 . . . . 74.129999999999995 112.172 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.539 ' HB3' ' HB2' ' A' ' 41' ' ' ASP . 94.1 mt -68.36 124.02 22.37 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.539 -0.755 . . . . 64.329999999999998 109.994 174.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -55.05 -34.99 64.01 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.091 0.956 . . . . 73.519999999999996 113.303 -170.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.95 174.21 10.87 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.746 0.818 . . . . 64.120000000000005 111.341 -176.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.51 -33.07 75.03 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 114.796 -1.093 . . . . 65.439999999999998 111.272 170.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -55.13 -43.34 74.03 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.873 1.269 . . . . 70.400000000000006 112.538 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.539 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 2.9 m-20 -62.32 -38.46 89.53 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 124.235 1.014 . . . . 65.109999999999999 110.449 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -65.68 -39.98 91.88 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 114.801 -1.09 . . . . 75.340000000000003 112.267 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.474 ' CE2' ' HD2' ' B' ' 40' ' ' LYS . 43.7 m-85 -66.56 -33.29 75.35 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 112.551 0.575 . . . . 72.0 112.551 -178.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.9 mp -66.91 -39.38 87.38 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.229 0.612 . . . . 64.219999999999999 111.44 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.651 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -76.15 -53.32 5.74 Favored Glycine 0 CA--C 1.537 1.435 0 CA-C-N 116.325 -0.398 . . . . 62.329999999999998 113.345 177.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.34 -36.34 77.75 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 123.85 0.86 . . . . 72.099999999999994 112.053 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.36 -30.57 78.21 Favored Glycine 0 N--CA 1.477 1.375 0 CA-C-N 115.258 -0.883 . . . . 64.439999999999998 112.066 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.643 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 7.3 t-105 -71.21 -44.4 65.46 Favored 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 123.316 0.646 . . . . 72.209999999999994 110.504 172.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.511 HD23 HG11 ' A' ' 55' ' ' VAL . 6.2 mp -58.06 -29.5 65.45 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.247 0.619 . . . . 63.219999999999999 111.957 177.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.2 mt -71.02 -43.75 67.28 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.297 0.639 . . . . 71.230000000000004 112.649 171.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.643 ' HE ' ' HA ' ' A' ' 48' ' ' TRP . 12.9 ptp180 -59.78 -29.03 67.92 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 113.58 0.955 . . . . 71.329999999999998 113.58 -170.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -99.78 -6.8 26.37 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.847 0.859 . . . . 73.25 112.853 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 61.23 46.43 7.95 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.832 0.853 . . . . 61.329999999999998 109.945 -168.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -93.58 -15.67 25.17 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 114.886 -1.052 . . . . 72.299999999999997 111.053 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.511 HG11 HD23 ' A' ' 49' ' ' LEU . 35.3 m -137.22 165.74 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 C-N-CA 123.772 0.829 . . . . 75.420000000000002 112.067 173.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.1 t -112.22 124.91 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 124.079 0.952 . . . . 73.019999999999996 109.212 169.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.5 p -112.58 133.81 54.43 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.294 0.638 . . . . 73.239999999999995 110.394 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 64.2 m -135.05 154.62 51.64 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.501 1.121 . . . . 53.130000000000003 110.187 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -97.84 107.1 19.52 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.41 0.684 . . . . 64.329999999999998 109.375 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 64.8 t -115.35 108.77 26.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.644 0.778 . . . . 53.310000000000002 109.861 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 54.03 32.51 15.7 Favored 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 124.796 1.239 . . . . 71.140000000000001 113.174 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.11 -25.64 23.04 Favored Glycine 0 CA--C 1.543 1.786 0 CA-C-N 116.197 -0.456 . . . . 74.140000000000001 114.196 -176.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -77.04 142.91 39.65 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.299 1.04 . . . . 65.209999999999994 111.715 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.9 mt -80.04 101.03 4.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 N-CA-C 109.257 -0.646 . . . . 62.439999999999998 109.257 169.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -88.76 142.64 27.5 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.329 0.652 . . . . 71.409999999999997 109.513 171.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.0 p -139.73 146.57 25.03 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 C-N-CA 123.131 0.573 . . . . 75.219999999999999 111.125 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -139.71 178.5 7.19 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.779 0.831 . . . . 44.450000000000003 109.637 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.1 mt -90.58 168.79 11.54 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 122.449 1.118 . . . . 71.329999999999998 113.903 -176.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.2 t -110.48 134.95 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 113.637 -1.62 . . . . 73.239999999999995 110.846 175.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.74 -51.72 6.59 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.794 0.837 . . . . 71.439999999999998 109.317 171.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.9 179.29 8.36 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.483 0.713 . . . . 73.519999999999996 111.036 -176.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -100.34 58.52 0.97 Allowed 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.154 0.582 . . . . 71.25 111.183 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -133.56 -38.32 0.92 Allowed 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 123.152 0.581 . . . . 74.420000000000002 112.085 175.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -89.37 32.48 0.85 Allowed 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 112.739 0.644 . . . . 72.519999999999996 112.739 -174.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -133.11 30.94 3.9 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 123.835 0.854 . . . . 73.040000000000006 109.151 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -61.04 -23.84 65.74 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 124.119 0.968 . . . . 71.319999999999993 113.55 -168.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 11.7 p80 . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 121.93 0.871 . . . . 63.119999999999997 111.44 175.859 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 CA--C 1.546 0.824 0 CA-C-O 121.013 0.435 . . . . 74.230000000000004 111.301 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -112.78 38.0 2.92 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.572 0.749 . . . . 71.219999999999999 109.949 174.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 12.6 tpt -55.86 123.88 15.72 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.942 0.897 . . . . 62.229999999999997 112.347 -172.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 mp -65.66 -20.47 66.31 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 123.294 0.638 . . . . 72.530000000000001 111.592 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.427 ' HE2' ' HH2' ' B' ' 48' ' ' TRP . 20.5 tptm -62.17 -55.96 23.52 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.948 0.899 . . . . 73.439999999999998 111.704 167.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -78.9 -35.42 43.58 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 112.906 0.706 . . . . 73.310000000000002 112.906 -168.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -31.6 71.08 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 117.727 0.239 . . . . 72.0 111.245 178.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.92 80.57 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.27 0.628 . . . . 64.109999999999999 111.579 173.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.09 -32.09 63.49 Favored Glycine 0 CA--C 1.543 1.804 0 CA-C-N 115.808 -0.633 . . . . 73.140000000000001 114.322 175.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.82 -41.81 67.74 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.197 0.599 . . . . 61.130000000000003 111.219 176.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.608 ' HA ' HE21 ' B' ' 14' ' ' GLN . 41.6 mt -62.33 -39.87 94.51 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.309 1.044 . . . . 72.030000000000001 110.571 172.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -58.62 -38.73 78.64 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.137 0.975 . . . . 50.229999999999997 112.283 176.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.98 -44.0 98.73 Favored Glycine 0 CA--C 1.536 1.388 0 CA-C-N 115.788 -0.642 . . . . 73.200000000000003 113.01 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.608 HE21 ' HA ' ' B' ' 11' ' ' LEU . 47.3 mt-30 -62.69 -47.28 84.31 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.437 0.695 . . . . 74.439999999999998 111.515 177.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.472 HD11 ' HA ' ' B' ' 42' ' ' PHE . 74.2 mt -67.81 -36.06 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 123.788 0.835 . . . . 73.109999999999999 111.619 -177.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -63.75 -49.02 74.66 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.725 0.41 . . . . 74.319999999999993 110.106 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.94 -33.45 71.92 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.965 0.506 . . . . 61.009999999999998 111.711 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.0 93.01 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.822 0.849 . . . . 33.43 112.239 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.506 HD21 HG13 ' B' ' 66' ' ' VAL . 9.9 mp -86.52 -13.99 44.32 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.612 0.765 . . . . 63.149999999999999 111.856 177.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -73.11 129.79 38.86 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.331 0.652 . . . . 71.319999999999993 111.095 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.75 1.77 90.59 Favored Glycine 0 CA--C 1.543 1.793 0 N-CA-C 114.359 0.504 . . . . 72.140000000000001 114.359 -178.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.3 p -124.15 169.39 11.76 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.776 0.83 . . . . 72.040000000000006 110.333 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.68 -9.57 59.31 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.252 1.021 . . . . 73.030000000000001 113.244 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.535 ' HA3' ' HG2' ' B' ' 67' ' ' LYS . . . 122.51 143.23 6.4 Favored Glycine 0 N--CA 1.484 1.855 0 CA-C-N 117.83 0.287 . . . . 51.210000000000001 113.032 -179.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mp -127.33 162.73 25.58 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.176 0.59 . . . . 71.400000000000006 111.9 -172.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 70.1 p -87.85 162.92 16.68 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.571 0.749 . . . . 70.400000000000006 110.248 169.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -51.25 -44.86 61.86 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 114.592 1.331 . . . . 74.049999999999997 114.592 -169.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -65.91 -39.49 90.61 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 123.149 0.579 . . . . 63.420000000000002 112.175 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -66.64 -32.67 74.14 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.697 0.799 . . . . 72.329999999999998 111.393 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.401 HG21 HG23 ' B' ' 15' ' ' ILE . 64.1 mt -70.57 -44.69 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.28 0.632 . . . . 71.239999999999995 110.464 174.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -60.44 -26.05 66.45 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.725 0.81 . . . . 62.100000000000001 111.976 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -66.2 -55.12 17.8 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.515 0.726 . . . . 62.340000000000003 111.572 170.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.92 -39.14 87.27 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.22 0.608 . . . . 72.430000000000007 112.175 -176.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 72.1 p -78.69 -21.14 48.63 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.222 1.009 . . . . 75.349999999999994 111.795 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp 64.9 27.87 12.75 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 124.866 1.266 . . . . 61.210000000000001 111.59 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 83.1 mt -83.85 125.87 32.4 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.79 0.836 . . . . 75.200000000000003 110.377 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -78.41 -49.01 14.27 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.282 0.633 . . . . 74.219999999999999 110.653 176.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.48 129.48 35.77 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.174 0.59 . . . . 72.129999999999995 111.797 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.13 -27.22 68.58 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.704 0.802 . . . . 61.130000000000003 111.606 172.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.474 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 26.0 mmtp -70.55 -40.51 73.34 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.737 0.815 . . . . 63.299999999999997 111.568 -171.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.32 -33.37 75.67 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 123.125 0.57 . . . . 51.219999999999999 111.134 172.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 0.472 ' HA ' HD11 ' B' ' 15' ' ' ILE . 39.0 t80 -64.54 -41.04 96.61 Favored 'General case' 0 CA--C 1.563 1.463 0 C-N-CA 122.901 0.48 . . . . 72.439999999999998 111.478 171.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -68.61 -39.31 80.91 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 111.923 0.342 . . . . 73.310000000000002 111.923 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.25 -40.89 90.49 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.346 0.658 . . . . 74.310000000000002 111.105 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . 0.426 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -67.35 -48.75 56.4 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 116.288 -0.415 . . . . 52.140000000000001 113.437 176.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.55 -31.53 72.79 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.802 0.841 . . . . 73.329999999999998 111.459 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.06 -31.34 79.08 Favored Glycine 0 N--CA 1.475 1.235 0 CA-C-N 115.409 -0.814 . . . . 55.340000000000003 112.388 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' TRP . . . . . 0.438 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 31.2 t-105 -74.54 -32.12 62.34 Favored 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 123.58 0.752 . . . . 65.400000000000006 111.157 175.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.606 HD23 HG11 ' B' ' 55' ' ' VAL . 6.4 mp -63.94 -31.69 72.96 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.091 0.557 . . . . 75.450000000000003 111.202 171.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.11 -41.48 81.69 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.557 0.743 . . . . 52.310000000000002 112.424 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.469 ' HD3' ' HG3' ' B' ' 52' ' ' GLU . 0.0 OUTLIER -71.97 -16.23 62.08 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 113.086 0.772 . . . . 70.230000000000004 113.086 -177.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.469 ' HG3' ' HD3' ' B' ' 51' ' ' ARG . 42.6 mt-10 -102.64 -16.29 16.1 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.968 0.507 . . . . 73.140000000000001 111.732 172.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 61.01 35.26 19.01 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.104 0.961 . . . . 73.109999999999999 112.144 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -82.57 -2.13 52.8 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 116.158 -0.474 . . . . 64.310000000000002 110.746 176.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.606 HG11 HD23 ' B' ' 49' ' ' LEU . 29.4 m -135.03 159.53 41.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 N-CA-C 113.132 0.79 . . . . 42.439999999999998 113.132 178.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.641 HG23 ' HA ' ' B' ' 69' ' ' VAL . 73.3 t -113.47 123.27 68.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 114.672 -1.149 . . . . 60.409999999999997 108.386 163.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 36.1 p -106.82 144.87 32.85 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.894 0.878 . . . . 60.299999999999997 111.298 -176.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 96.9 p -152.12 172.62 16.06 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.277 1.031 . . . . 55.329999999999998 109.866 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -119.88 113.66 20.9 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 109.529 -0.545 . . . . 74.120000000000005 109.529 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.0 t -123.0 119.7 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.37 1.068 . . . . 70.310000000000002 110.167 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 50.22 35.25 10.03 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 125.576 1.55 . . . . 64.140000000000001 113.997 176.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.28 4.7 70.87 Favored Glycine 0 CA--C 1.543 1.797 0 N-CA-C 115.078 0.791 . . . . 71.430000000000007 115.078 176.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -119.79 159.32 24.79 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.742 0.817 . . . . 71.430000000000007 111.579 174.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 57.4 mt -79.54 107.63 12.18 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 CA-C-N 116.049 -0.523 . . . . 74.140000000000001 109.843 172.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -99.05 125.6 44.58 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.293 0.637 . . . . 75.420000000000002 109.679 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.506 HG13 HD21 ' B' ' 19' ' ' LEU . 4.0 p -139.71 144.79 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.411 0 N-CA-C 112.34 0.496 . . . . 65.129999999999995 112.34 -174.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.535 ' HG2' ' HA3' ' B' ' 24' ' ' GLY . 51.5 mtmt -128.62 161.01 30.64 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 124.38 1.072 . . . . 73.099999999999994 109.819 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.442 HD23 HG12 ' B' ' 55' ' ' VAL . 72.0 mt -80.17 65.95 5.5 Favored 'General case' 0 N--CA 1.5 2.039 0 CA-C-N 119.151 0.887 . . . . 61.329999999999998 111.38 175.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.641 ' HA ' HG23 ' B' ' 56' ' ' VAL . 11.1 t 49.63 27.79 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.223 0 C-N-CA 124.879 1.272 . . . . 74.140000000000001 111.989 -174.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 70.4 mt -73.57 98.22 2.78 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.701 0.801 . . . . 73.209999999999994 110.612 -175.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 62.48 86.47 0.11 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.186 1.394 . . . . 72.420000000000002 111.471 -177.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -83.82 100.01 10.68 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 109.398 -0.593 . . . . 75.439999999999998 109.398 173.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -135.24 176.07 9.01 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.854 0.862 . . . . 74.510000000000005 110.678 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -78.17 121.11 23.91 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 122.986 0.515 . . . . 65.219999999999999 110.342 172.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -67.41 139.53 57.13 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.17 0.588 . . . . 72.129999999999995 111.45 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -86.3 171.6 11.1 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.63 0.772 . . . . 74.049999999999997 111.597 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 30.0 m80 . . . . . 0 N--CA 1.482 1.173 0 C-N-CA 123.37 0.668 . . . . 73.439999999999998 110.931 -177.204 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 ptt? . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 110.445 -0.206 . . . . 65.040000000000006 110.445 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -162.69 -24.25 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 112.687 0.625 . . . . 74.329999999999998 112.687 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.453 ' HG3' ' H ' ' A' ' 6' ' ' GLU . 23.1 ptp -154.21 156.39 37.0 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 113.038 0.755 . . . . 74.129999999999995 113.038 -176.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.61 -22.58 66.68 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.459 1.104 . . . . 72.310000000000002 111.975 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -68.44 -36.96 79.78 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.437 0.695 . . . . 71.340000000000003 111.299 173.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.453 ' H ' ' HG3' ' A' ' 3' ' ' MET . 23.7 tt0 -71.94 -49.45 37.42 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.483 0.313 . . . . 71.140000000000001 111.626 -174.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -63.66 -25.23 68.12 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 111.74 0.274 . . . . 61.329999999999998 111.74 179.227 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.85 95.03 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.046 0.538 . . . . 71.450000000000003 110.718 171.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.04 -35.24 64.6 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 115.186 -0.915 . . . . 75.040000000000006 113.697 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.19 -43.51 97.99 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.336 0.655 . . . . 73.420000000000002 112.043 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 75.5 mt -77.19 -18.81 57.47 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.476 0.71 . . . . 73.099999999999994 111.953 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.39 -53.27 60.08 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.218 0.607 . . . . 61.399999999999999 112.539 177.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.34 -42.03 81.69 Favored Glycine 0 CA--C 1.54 1.629 0 N-CA-C 115.081 0.792 . . . . 33.229999999999997 115.081 -178.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -74.48 -36.03 63.27 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 122.855 0.462 . . . . 73.209999999999994 112.191 -177.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.537 HG23 HG21 ' A' ' 30' ' ' ILE . 68.8 mt -67.9 -41.88 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 C-N-CA 122.79 0.436 . . . . 75.319999999999993 110.303 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.47 ' CD1' ' HE2' ' A' ' 54' ' ' LYS . 80.9 t90 -57.22 -47.27 81.75 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.444 0.698 . . . . 73.209999999999994 110.856 175.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -64.88 -30.27 71.26 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.94 0.896 . . . . 65.129999999999995 113.093 177.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.82 -37.73 87.02 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-O 121.108 0.48 . . . . 75.400000000000006 110.885 174.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.515 ' HA ' HD13 ' A' ' 25' ' ' LEU . 8.4 mp -81.24 -25.77 36.38 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.992 0.917 . . . . 72.329999999999998 112.178 177.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -69.16 135.71 51.06 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 112.27 0.471 . . . . 71.319999999999993 112.27 -174.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.11 5.68 89.94 Favored Glycine 0 CA--C 1.538 1.517 0 CA-C-N 115.626 -0.715 . . . . 73.519999999999996 113.717 -175.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.3 m -124.94 160.68 28.33 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.993 0.917 . . . . 71.200000000000003 109.943 -177.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -86.08 -0.03 54.61 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.273 0.629 . . . . 74.409999999999997 112.377 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.39 139.2 4.16 Favored Glycine 0 C--N 1.353 1.487 0 N-CA-C 113.919 0.328 . . . . 71.019999999999996 113.919 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.515 HD13 ' HA ' ' A' ' 19' ' ' LEU . 5.4 mp -122.99 154.43 38.45 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.689 0.795 . . . . 73.439999999999998 110.105 178.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.8 p -91.06 163.19 14.39 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 109.565 -0.532 . . . . 74.239999999999995 109.565 167.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -54.4 -30.02 50.83 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.946 0.899 . . . . 55.219999999999999 113.383 -176.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -41.66 99.11 Favored 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 123.771 0.829 . . . . 55.140000000000001 112.275 175.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -76.94 -38.87 52.52 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.7 0.8 . . . . 70.519999999999996 112.744 -176.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.537 HG21 HG23 ' A' ' 15' ' ' ILE . 51.4 mt -62.55 -45.07 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 C-N-CA 123.378 0.671 . . . . 53.310000000000002 112.462 -173.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -65.07 -25.28 67.74 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.11 0.564 . . . . 72.349999999999994 112.358 -177.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -65.13 -49.75 68.73 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.527 0.731 . . . . 61.030000000000001 110.763 170.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.48 -33.05 70.81 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 115.457 -0.792 . . . . 62.119999999999997 112.568 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.2 p -94.11 -22.31 18.56 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.807 0.843 . . . . 75.420000000000002 112.67 -177.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt 69.16 23.04 6.54 Favored 'General case' 0 CA--C 1.571 1.776 0 C-N-CA 124.929 1.292 . . . . 65.200000000000003 112.31 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.4 mt -64.72 -38.97 92.8 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 112.638 0.607 . . . . 64.010000000000005 112.638 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm 70.51 -64.07 0.38 Allowed 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.961 1.304 . . . . 74.319999999999993 112.184 -175.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.422 ' HB1' ' HD3' ' A' ' 40' ' ' LYS . . . -70.83 133.12 46.23 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.396 0.678 . . . . 74.239999999999995 111.669 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -65.38 -29.3 69.99 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.141 0.576 . . . . 74.209999999999994 110.726 168.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.557 ' H ' ' HD2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -56.55 -56.34 22.48 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 124.89 1.276 . . . . 63.020000000000003 111.807 -176.801 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.22 -29.03 67.77 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.727 0.811 . . . . 73.340000000000003 110.888 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -64.4 -38.71 91.97 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-N 115.251 -0.886 . . . . 64.450000000000003 111.734 177.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -67.53 -34.27 76.74 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 122.792 0.437 . . . . 65.140000000000001 112.123 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -70.49 -43.28 70.04 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.804 0.442 . . . . 74.329999999999998 111.04 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.417 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -66.92 -53.13 28.64 Favored Glycine 0 CA--C 1.539 1.577 0 CA-C-N 116.56 -0.291 . . . . 63.409999999999997 113.315 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.701 HD11 HG21 ' A' ' 66' ' ' VAL . 54.9 tp -65.8 -32.02 73.31 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.964 0.906 . . . . 74.319999999999993 111.629 178.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.43 -31.62 79.36 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-N 115.62 -0.718 . . . . 74.519999999999996 111.954 174.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -74.98 -25.7 59.03 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.007 0.523 . . . . 72.099999999999994 111.357 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.595 HD23 HG11 ' A' ' 55' ' ' VAL . 6.0 mp -64.87 -29.61 70.57 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 122.764 0.426 . . . . 73.5 111.462 169.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.8 mt -75.57 -34.08 60.66 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.286 0.634 . . . . 70.420000000000002 111.179 170.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.55 ' HD3' ' HA ' ' B' ' 51' ' ' ARG . 21.9 tpt180 -56.97 -42.09 79.54 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.516 0.727 . . . . 72.120000000000005 110.76 167.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.438 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 50.7 mt-10 -83.84 -19.65 34.54 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.059 0.543 . . . . 75.340000000000003 111.463 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 66.17 15.28 10.03 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 125.52 1.528 . . . . 54.530000000000001 111.847 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HE2' ' CD1' ' A' ' 16' ' ' TRP . 40.9 mtpt -80.83 3.48 22.39 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.186 0.994 . . . . 74.209999999999994 112.914 -176.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.595 HG11 HD23 ' A' ' 49' ' ' LEU . 23.8 m -130.22 150.6 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 114.331 1.234 . . . . 52.030000000000001 114.331 177.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 t -100.69 124.86 54.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.147 0 C-N-CA 125.068 1.347 . . . . 64.319999999999993 109.396 166.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.9 p -106.4 146.3 30.65 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 123.302 0.641 . . . . 71.25 111.866 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -157.18 171.6 20.14 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 124.768 1.227 . . . . 44.210000000000001 110.063 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -118.12 122.48 43.19 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.114 0.566 . . . . 74.430000000000007 109.991 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 37.5 t -120.45 113.69 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 123.801 0.84 . . . . 62.119999999999997 109.96 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 53.43 41.21 32.14 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.528 1.531 . . . . 75.25 113.607 172.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.64 -0.12 84.6 Favored Glycine 0 CA--C 1.536 1.345 0 CA-C-N 115.484 -0.78 . . . . 72.040000000000006 115.0 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -117.57 155.4 29.87 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 117.693 0.747 . . . . 73.510000000000005 110.883 177.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.7 mt -75.72 109.36 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 123.609 0.764 . . . . 73.310000000000002 110.4 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -97.48 121.59 39.55 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.488 0.715 . . . . 74.329999999999998 109.449 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.701 HG21 HD11 ' A' ' 46' ' ' LEU . 7.3 p -137.31 144.41 31.82 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-O 121.437 0.637 . . . . 63.0 111.443 -177.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -140.3 176.9 8.39 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.915 0.886 . . . . 72.319999999999993 109.365 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.442 HD23 HG12 ' A' ' 55' ' ' VAL . 46.0 mt -85.77 156.93 20.4 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-O 121.325 0.583 . . . . 73.129999999999995 111.882 178.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.7 t -77.16 92.84 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 N-CA-C 108.556 -0.905 . . . . 73.420000000000002 108.556 168.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.645 HD23 ' H ' ' A' ' 70' ' ' LEU . 1.4 pt? -64.88 95.08 0.14 Allowed 'General case' 0 CA--C 1.56 1.363 0 CA-C-O 122.036 0.922 . . . . 63.539999999999999 112.105 -174.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -121.65 151.68 40.18 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.161 0.984 . . . . 75.540000000000006 109.961 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -75.44 12.17 1.06 Allowed 'General case' 0 CA--C 1.566 1.561 0 N-CA-C 114.632 1.345 . . . . 73.319999999999993 114.632 -173.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -79.6 115.8 19.43 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 118.308 0.504 . . . . 55.219999999999999 110.366 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -96.76 84.22 3.57 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-O 121.332 0.586 . . . . 73.430000000000007 109.445 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -152.72 125.37 8.32 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.188 -0.914 . . . . 73.340000000000003 109.574 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 65.22 91.22 0.08 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.846 1.258 . . . . 74.329999999999998 111.956 -172.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 121.894 0.854 . . . . 71.319999999999993 109.981 171.509 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.88 0 CA-C-O 121.1 0.476 . . . . 71.209999999999994 111.462 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.537 ' HD3' ' H ' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -122.94 91.85 3.58 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-O 122.508 1.147 . . . . 62.329999999999998 110.086 174.157 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.709 ' HB3' ' HG2' ' B' ' 6' ' ' GLU . 13.5 tpt -71.88 125.05 26.2 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.508 -0.769 . . . . 61.229999999999997 109.19 172.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.91 -17.44 56.71 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.178 0.591 . . . . 72.239999999999995 111.641 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -62.92 -48.2 79.95 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 124.039 0.936 . . . . 72.209999999999994 110.98 170.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.709 ' HG2' ' HB3' ' B' ' 3' ' ' MET . 11.9 mm-40 -69.99 -40.27 75.41 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.187 0.595 . . . . 61.43 110.675 -178.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -57.09 -49.96 74.24 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.163 0.985 . . . . 74.349999999999994 111.661 175.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.1 -37.23 66.58 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 115.067 -0.97 . . . . 44.310000000000002 111.212 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.15 -34.44 69.91 Favored Glycine 0 CA--C 1.538 1.506 0 CA-C-N 115.681 -0.691 . . . . 74.420000000000002 114.302 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.84 -47.27 72.5 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.387 0.675 . . . . 74.519999999999996 111.774 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.518 ' HA ' HE21 ' B' ' 14' ' ' GLN . 68.6 mt -67.74 -34.57 77.09 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.7 0.8 . . . . 73.099999999999994 111.202 176.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.439 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -58.49 -46.83 85.88 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.436 1.094 . . . . 30.140000000000001 113.411 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.64 -35.28 51.67 Favored Glycine 0 C--N 1.35 1.356 0 O-C-N 123.802 0.689 . . . . 64.120000000000005 113.578 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.518 HE21 ' HA ' ' B' ' 11' ' ' LEU . 36.4 mt-30 -70.3 -51.07 33.05 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.782 0.833 . . . . 74.519999999999996 111.343 176.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 62.1 mt -63.48 -40.39 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 123.727 0.811 . . . . 75.540000000000006 112.219 -174.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -58.9 -50.06 75.46 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.292 0.637 . . . . 71.549999999999997 110.552 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.11 -25.89 67.97 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.474 0.71 . . . . 75.209999999999994 112.472 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.95 -43.96 81.8 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.241 0.616 . . . . 62.149999999999999 111.077 172.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 80.2 mt -74.93 -20.76 59.56 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.604 0.762 . . . . 73.450000000000003 111.783 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -68.93 127.29 32.59 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.988 0.915 . . . . 72.430000000000007 110.811 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.14 3.72 84.76 Favored Glycine 0 CA--C 1.537 1.456 0 N-CA-C 114.028 0.371 . . . . 41.109999999999999 114.028 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 19.5 m -128.33 161.81 28.55 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.68 0.792 . . . . 53.32 110.461 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -79.52 23.09 0.42 Allowed 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 124.289 1.035 . . . . 63.409999999999997 112.266 176.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.34 150.31 23.71 Favored Glycine 0 C--N 1.348 1.198 0 C-N-CA 123.204 0.43 . . . . 55.5 112.604 -173.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.7 mt -123.3 155.18 37.75 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.537 0.735 . . . . 71.530000000000001 110.379 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 63.9 p -83.76 167.14 17.41 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.36 0.664 . . . . 74.230000000000004 109.633 170.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -57.55 -30.34 65.13 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 122.828 0.451 . . . . 71.450000000000003 111.662 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -61.14 -52.87 63.06 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.338 1.055 . . . . 62.420000000000002 111.816 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -70.47 -38.76 74.48 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.104 0.961 . . . . 73.019999999999996 112.323 -175.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 91.8 mt -61.08 -45.48 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 123.44 0.696 . . . . 73.439999999999998 110.911 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -55.89 -41.7 74.87 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 123.508 0.505 . . . . 74.150000000000006 112.353 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -70.98 -49.63 43.23 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 112.344 0.498 . . . . 70.340000000000003 112.344 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.12 -27.39 68.9 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.486 0.714 . . . . 71.450000000000003 112.697 -177.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 72.7 p -103.71 -20.07 14.09 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.975 0.91 . . . . 61.100000000000001 112.631 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 66.49 29.07 9.31 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.815 1.246 . . . . 71.439999999999998 112.289 -173.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt -75.32 127.72 33.79 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.866 0.467 . . . . 73.329999999999998 109.859 172.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -80.58 -27.78 37.34 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 113.344 0.868 . . . . 72.310000000000002 113.344 -169.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.96 158.13 43.43 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 121.435 0.636 . . . . 54.140000000000001 112.298 -173.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -60.96 -28.27 68.85 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 115.146 -0.934 . . . . 71.310000000000002 110.892 170.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -54.33 -45.96 72.79 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.71 1.204 . . . . 70.150000000000006 112.964 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -66.91 -36.61 82.66 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 121.652 0.739 . . . . 65.230000000000004 110.316 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -68.45 -44.51 74.71 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 114.452 -1.249 . . . . 72.109999999999999 112.352 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -66.22 -40.26 90.16 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 122.973 0.509 . . . . 74.530000000000001 112.373 -176.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mp -71.67 -43.24 66.37 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.961 0.505 . . . . 71.450000000000003 111.009 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . 0.418 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -63.75 -53.33 38.72 Favored Glycine 0 CA--C 1.539 1.542 0 CA-C-N 116.416 -0.357 . . . . 73.219999999999999 113.123 176.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.04 -34.92 74.05 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 124.272 1.029 . . . . 55.219999999999999 111.93 176.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.56 -31.47 79.9 Favored Glycine 0 N--CA 1.475 1.242 0 CA-C-N 115.894 -0.594 . . . . 63.549999999999997 112.552 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' TRP . . . . . 0.439 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 55.2 t-105 -74.49 -35.76 63.25 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.683 0.793 . . . . 65.219999999999999 111.423 174.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.653 HD23 HG11 ' B' ' 55' ' ' VAL . 7.4 mp -62.39 -34.57 76.97 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.258 0.623 . . . . 64.519999999999996 110.98 172.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 81.9 mt -74.94 -36.49 62.12 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.78 0.832 . . . . 72.200000000000003 111.052 174.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.55 ' HA ' ' HD3' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -67.37 -31.88 72.42 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.85 0.46 . . . . 73.219999999999999 110.804 -179.694 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -99.2 -2.26 37.2 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.901 0.48 . . . . 70.200000000000003 111.549 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 t70 64.32 18.32 11.24 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 124.921 1.288 . . . . 75.150000000000006 112.335 172.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -73.56 -11.92 60.6 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.038 0.935 . . . . 64.530000000000001 112.951 -175.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.653 HG11 HD23 ' B' ' 49' ' ' LEU . 33.4 m -130.86 159.72 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-O 121.547 0.689 . . . . 72.319999999999993 111.972 -178.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -119.38 133.35 66.47 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 124.785 1.234 . . . . 53.109999999999999 109.776 172.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 37.3 p -103.11 139.57 38.45 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.121 0.968 . . . . 71.319999999999993 111.631 -172.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 59.5 m -143.02 165.93 26.02 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.634 1.174 . . . . 75.540000000000006 109.488 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -121.7 120.51 34.89 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.289 -0.634 . . . . 74.439999999999998 109.289 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 38.7 t -103.75 107.1 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 108.898 -0.778 . . . . 62.43 108.898 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 49.57 39.71 17.75 Favored 'General case' 0 CA--C 1.563 1.462 0 C-N-CA 125.429 1.492 . . . . 73.329999999999998 113.229 173.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.79 10.2 53.13 Favored Glycine 0 CA--C 1.541 1.709 0 N-CA-C 116.135 1.214 . . . . 53.009999999999998 116.135 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -132.83 160.47 36.83 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 119.374 1.587 . . . . 71.209999999999994 112.735 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 65.1 mt -73.64 110.92 7.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 124.29 1.036 . . . . 73.129999999999995 111.092 -176.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -117.33 116.85 28.03 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.088 0.955 . . . . 74.010000000000005 109.598 176.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 33.3 t -122.35 148.86 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 123.005 0.522 . . . . 73.239999999999995 110.88 -175.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.8 157.16 43.94 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.29 0.636 . . . . 72.129999999999995 109.786 175.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.545 HD23 HG12 ' B' ' 55' ' ' VAL . 63.7 mt -67.73 155.19 39.83 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.488 0.315 . . . . 72.430000000000007 111.116 177.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.7 t -80.73 81.04 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 CA-C-O 121.389 0.614 . . . . 71.230000000000004 109.778 173.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 mp -75.1 -46.07 37.03 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 108.962 -0.755 . . . . 64.420000000000002 108.962 169.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 65.84 104.84 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.602 1.561 . . . . 73.430000000000007 112.763 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -154.87 14.31 0.41 Allowed 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 124.047 0.939 . . . . 75.409999999999997 109.267 172.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -114.15 -7.96 13.01 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.737 0.815 . . . . 74.239999999999995 112.248 -170.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -52.03 94.3 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 113.658 0.985 . . . . 74.319999999999993 113.658 -171.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -148.41 170.55 17.75 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.693 1.197 . . . . 73.099999999999994 110.133 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -73.32 96.03 2.25 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.396 0.678 . . . . 62.450000000000003 110.385 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 32.5 p80 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 121.507 0.67 . . . . 72.430000000000007 111.981 179.058 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 mmt . . . . . 0 N--CA 1.496 1.861 0 N-CA-C 112.244 0.461 . . . . 71.129999999999995 112.244 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm 66.85 13.36 9.39 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 125.057 1.343 . . . . 71.010000000000005 113.855 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 85.0 mtp -58.96 150.31 24.83 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 122.957 0.503 . . . . 65.150000000000006 111.898 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 tt -49.77 -41.05 43.3 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 124.229 1.012 . . . . 74.019999999999996 112.352 -173.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -69.22 -48.92 60.62 Favored 'General case' 0 CA--C 1.56 1.339 0 C-N-CA 123.392 0.677 . . . . 72.319999999999993 111.783 -177.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.93 -38.63 69.82 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 122.862 0.465 . . . . 71.230000000000004 112.003 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -32.02 64.13 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 122.753 0.421 . . . . 64.329999999999998 110.891 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.03 97.61 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.142 0.577 . . . . 74.439999999999998 111.154 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.27 -42.98 93.83 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-N 115.512 -0.767 . . . . 41.409999999999997 113.586 174.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.73 91.43 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.415 0.686 . . . . 72.450000000000003 112.359 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.8 mt -70.16 -27.65 64.71 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.806 0.842 . . . . 61.350000000000001 112.074 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.401 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -58.06 -42.43 85.46 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 113.33 0.863 . . . . 64.129999999999995 113.33 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.38 -53.21 36.21 Favored Glycine 0 CA--C 1.538 1.495 0 O-C-N 123.85 0.719 . . . . 72.319999999999993 114.875 -176.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.455 ' NE2' HD21 ' A' ' 36' ' ' LEU . 28.3 pt20 -69.27 -36.33 77.0 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.496 0.718 . . . . 65.219999999999999 112.493 -176.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.575 HG23 HG21 ' A' ' 30' ' ' ILE . 68.6 mt -65.19 -44.56 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 123.08 0.552 . . . . 75.329999999999998 110.423 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -59.49 -45.47 91.61 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-N 115.315 -0.857 . . . . 70.109999999999999 111.239 175.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.03 -25.93 65.63 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.735 0.814 . . . . 60.219999999999999 112.757 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.6 -30.37 68.11 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 122.998 0.519 . . . . 61.210000000000001 111.2 172.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.562 HD21 HD11 ' A' ' 30' ' ' ILE . 87.8 mt -88.1 -20.67 25.38 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.819 0.848 . . . . 70.340000000000003 112.003 176.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -70.57 123.38 21.7 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.841 0.456 . . . . 73.230000000000004 111.257 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.4 -15.42 63.3 Favored Glycine 0 CA--C 1.54 1.619 0 CA-C-N 115.929 -0.578 . . . . 54.530000000000001 114.131 -176.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.9 p -106.69 171.04 7.58 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.716 0.806 . . . . 72.120000000000005 111.335 -177.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -89.24 2.99 53.48 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 122.892 0.477 . . . . 74.25 111.952 175.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.535 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 113.28 144.53 9.01 Favored Glycine 0 C--N 1.349 1.305 0 N-CA-C 114.085 0.394 . . . . 64.219999999999999 114.085 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.569 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 2.7 mm? -126.92 166.54 17.32 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.329 1.052 . . . . 74.010000000000005 109.757 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.1 p -87.35 170.07 11.73 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 110.201 -0.296 . . . . 74.150000000000006 110.201 169.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -55.14 -37.25 66.7 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.014 0.526 . . . . 75.150000000000006 112.042 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -61.38 -44.38 97.26 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.84 1.256 . . . . 64.540000000000006 112.109 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.569 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 11.1 mm-40 -74.12 -39.52 63.29 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 115.509 -0.768 . . . . 61.210000000000001 111.101 -177.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.575 HG21 HG23 ' A' ' 15' ' ' ILE . 79.0 mt -65.2 -42.18 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 123.481 0.713 . . . . 65.510000000000005 111.79 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -54.04 -32.89 55.84 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 123.367 0.667 . . . . 72.5 112.307 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -70.81 -49.94 40.97 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.192 0.597 . . . . 61.119999999999997 111.234 174.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.79 76.54 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.041 0.936 . . . . 52.340000000000003 112.787 -175.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.6 p -101.68 -10.49 19.96 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.442 1.097 . . . . 45.140000000000001 112.447 -177.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt 68.95 25.35 6.04 Favored 'General case' 0 CA--C 1.571 1.75 0 C-N-CA 124.312 1.045 . . . . 72.230000000000004 111.468 176.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.455 HD21 ' NE2' ' A' ' 14' ' ' GLN . 68.5 mt -78.47 93.29 4.74 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.019 -0.537 . . . . 50.240000000000002 110.401 177.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -34.98 72.68 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.439 1.096 . . . . 62.119999999999997 112.261 -178.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -104.51 141.07 37.04 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.879 0.871 . . . . 53.420000000000002 110.419 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.56 -25.01 63.79 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.379 0.672 . . . . 73.319999999999993 110.381 172.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -53.02 -35.85 59.87 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.662 1.185 . . . . 71.400000000000006 112.596 169.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -67.59 -41.17 84.53 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-O 121.327 0.584 . . . . 72.129999999999995 110.236 174.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -71.2 -46.35 61.45 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.298 -0.864 . . . . 75.239999999999995 112.19 -174.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.95 -43.7 98.29 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 112.408 0.521 . . . . 70.329999999999998 112.408 -172.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 mp -73.59 -36.79 65.58 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.394 0.677 . . . . 74.400000000000006 111.047 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.431 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -65.1 -46.39 88.6 Favored Glycine 0 CA--C 1.54 1.647 0 CA-C-N 116.701 -0.227 . . . . 64.209999999999994 112.656 172.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.7 tp -63.57 -33.82 76.44 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 124.802 1.241 . . . . 74.140000000000001 111.302 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.12 -31.53 81.03 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-N 115.344 -0.843 . . . . 52.43 112.319 176.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.447 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 15.5 t-105 -75.81 -34.03 60.14 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 123.398 0.679 . . . . 73.019999999999996 110.894 175.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.551 ' HA ' ' HD3' ' A' ' 54' ' ' LYS . 8.4 mp -62.12 -38.92 90.77 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.338 0.655 . . . . 75.099999999999994 111.837 172.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -75.9 -34.21 59.93 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.067 0.547 . . . . 72.109999999999999 110.992 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.525 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -63.59 -34.45 77.84 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.43 0.692 . . . . 70.329999999999998 112.276 -177.847 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.525 ' HG3' ' HG3' ' A' ' 51' ' ' ARG . 67.5 mt-10 -103.14 6.96 38.74 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 112.704 0.631 . . . . 71.319999999999993 112.704 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 63.1 28.46 16.08 Favored 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 124.046 0.938 . . . . 64.230000000000004 112.521 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.551 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 21.1 mtpp -71.51 -27.81 63.47 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.118 0.967 . . . . 71.319999999999993 111.033 -176.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.569 HG12 HD23 ' A' ' 68' ' ' LEU . 32.1 m -137.55 175.25 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 123.704 0.802 . . . . 73.409999999999997 111.789 -171.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -133.1 136.23 55.58 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 C-N-CA 124.621 1.168 . . . . 74.120000000000005 109.43 171.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.0 p -112.14 151.73 29.14 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.585 0.754 . . . . 74.120000000000005 111.189 -174.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.5 t -150.12 170.17 19.56 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.494 1.118 . . . . 64.409999999999997 109.91 -176.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -110.87 107.57 17.09 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.054 0.541 . . . . 71.129999999999995 110.301 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.576 HG12 ' HG2' ' A' ' 61' ' ' GLU . 54.4 t -110.92 117.17 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 123.732 0.813 . . . . 62.130000000000003 109.365 174.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.576 ' HG2' HG12 ' A' ' 60' ' ' VAL . 7.2 pt-20 46.86 43.54 13.46 Favored 'General case' 0 N--CA 1.5 2.034 0 C-N-CA 125.326 1.451 . . . . 70.420000000000002 113.937 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 73.94 15.85 79.59 Favored Glycine 0 CA--C 1.538 1.473 0 N-CA-C 114.606 0.602 . . . . 64.209999999999994 114.606 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -126.82 152.95 46.27 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.678 0.791 . . . . 74.409999999999997 110.501 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.7 mt -74.54 113.19 12.74 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 C-N-CA 123.083 0.553 . . . . 72.329999999999998 110.996 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -98.33 139.65 33.78 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.049 0.939 . . . . 72.420000000000002 109.091 169.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.5 p -140.85 147.17 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 122.593 0.357 . . . . 55.109999999999999 111.834 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.535 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 22.8 pttp -152.52 154.04 34.66 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.382 0.673 . . . . 72.400000000000006 110.141 175.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.569 HD23 HG12 ' A' ' 55' ' ' VAL . 38.7 mt -64.15 149.13 48.4 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 112.088 0.403 . . . . 60.039999999999999 112.088 -178.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.1 t -76.41 90.86 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 N-CA-C 109.159 -0.682 . . . . 74.019999999999996 109.159 170.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 pp -78.06 150.42 33.79 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 116.176 -0.466 . . . . 71.540000000000006 110.345 174.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -70.29 154.0 42.41 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 121.362 0.601 . . . . 54.210000000000001 111.967 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -149.15 164.86 33.5 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.368 1.067 . . . . 63.140000000000001 110.166 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -62.2 -31.45 71.98 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 113.584 0.957 . . . . 72.129999999999995 113.584 -169.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -151.12 120.38 6.8 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 122.834 0.454 . . . . 74.510000000000005 110.678 174.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -86.86 125.95 34.33 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 122.846 0.459 . . . . 74.230000000000004 111.007 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -77.93 99.94 6.21 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 121.344 0.593 . . . . 71.450000000000003 111.183 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 21.9 p80 . . . . . 0 N--CA 1.479 0.979 0 C-N-CA 124.047 0.939 . . . . 53.32 111.191 179.792 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 CA--C 1.55 0.962 0 CA-C-O 120.832 0.348 . . . . 65.310000000000002 111.132 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -82.79 154.51 24.69 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.664 0.785 . . . . 72.230000000000004 112.013 -175.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 30.9 mmt -81.19 167.48 19.58 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.025 0.93 . . . . 74.129999999999995 112.484 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.58 HD22 ' HD2' ' B' ' 7' ' ' LYS . 2.6 tm? -57.19 -35.85 70.12 Favored 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 124.931 1.292 . . . . 73.299999999999997 111.741 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.438 ' HG3' ' HZ3' ' B' ' 48' ' ' TRP . 38.6 ttmt -65.64 -39.81 91.82 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.078 0.551 . . . . 73.420000000000002 112.122 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.2 -41.12 77.53 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.381 0.673 . . . . 65.030000000000001 112.201 -174.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.58 ' HD2' HD22 ' B' ' 4' ' ' LEU . 0.0 OUTLIER -73.44 -27.07 61.23 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 122.515 0.326 . . . . 72.409999999999997 111.844 175.147 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.51 -38.57 91.49 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.127 0.571 . . . . 54.219999999999999 111.35 174.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.54 -32.72 84.2 Favored Glycine 0 CA--C 1.539 1.551 0 CA-C-N 115.724 -0.671 . . . . 70.430000000000007 113.874 174.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.05 -45.13 71.16 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.028 0.531 . . . . 71.140000000000001 111.508 174.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.39 -33.47 73.72 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.811 0.844 . . . . 64.310000000000002 111.48 176.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.09 -43.58 74.09 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.585 0.754 . . . . 63.420000000000002 112.191 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.46 -50.98 61.9 Favored Glycine 0 CA--C 1.533 1.206 0 CA-C-N 115.455 -0.793 . . . . 43.009999999999998 113.893 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -69.88 -33.7 72.57 Favored 'General case' 0 CA--C 1.557 1.232 0 N-CA-C 112.406 0.521 . . . . 73.420000000000002 112.406 -176.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.634 HG23 HG21 ' B' ' 30' ' ' ILE . 90.5 mt -67.79 -43.84 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 123.493 0.717 . . . . 63.149999999999999 111.047 177.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . 0.44 ' HE1' ' HG2' ' B' ' 54' ' ' LYS . 73.1 t90 -61.68 -43.42 98.89 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.266 0.627 . . . . 73.25 110.948 174.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -63.43 -37.79 88.63 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 123.952 0.901 . . . . 73.349999999999994 110.28 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.31 84.8 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.792 0.837 . . . . 74.5 111.607 175.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.546 HD21 HD11 ' B' ' 30' ' ' ILE . 85.3 mt -76.45 -24.75 53.92 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.883 0.873 . . . . 75.019999999999996 112.471 177.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -72.02 133.3 45.21 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 122.527 0.331 . . . . 71.519999999999996 110.623 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.77 -1.28 78.11 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 115.974 -0.557 . . . . 43.219999999999999 114.303 -176.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 32.8 p -122.32 169.53 10.84 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.52 0.728 . . . . 55.509999999999998 110.302 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -82.33 3.71 26.73 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.156 0.582 . . . . 73.5 111.513 173.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.13 153.26 8.34 Favored Glycine 0 C--N 1.348 1.199 0 C-N-CA 123.664 0.65 . . . . 71.140000000000001 112.107 -174.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.575 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 80.8 mt -134.62 154.39 51.52 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.944 0.897 . . . . 71.129999999999995 109.979 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 69.0 p -77.69 167.44 21.57 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.495 0.318 . . . . 64.430000000000007 110.269 171.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -57.47 -35.03 69.64 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 122.858 0.463 . . . . 72.310000000000002 112.179 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -67.79 -42.53 81.48 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.995 0.918 . . . . 62.420000000000002 111.591 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.575 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 15.2 mm-40 -67.89 -37.0 81.21 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 120.801 0.334 . . . . 71.200000000000003 111.694 -178.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.634 HG21 HG23 ' B' ' 15' ' ' ILE . 60.8 mt -69.2 -42.61 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.184 0.594 . . . . 75.239999999999995 110.569 173.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -52.24 -45.88 65.5 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 125.133 1.373 . . . . 62.25 111.111 176.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -67.98 -46.65 70.75 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 114.295 -1.32 . . . . 41.100000000000001 111.369 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.58 -29.21 67.69 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.894 0.701 . . . . 74.019999999999996 112.894 -176.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 76.8 p -94.1 -15.98 24.21 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.791 0.836 . . . . 64.219999999999999 111.712 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt 65.22 27.96 12.13 Favored 'General case' 0 CA--C 1.568 1.662 0 C-N-CA 124.71 1.204 . . . . 73.230000000000004 111.705 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -71.61 137.09 47.69 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 115.613 -0.721 . . . . 75.400000000000006 110.701 177.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -82.61 -50.21 9.01 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.592 0.757 . . . . 60.229999999999997 110.935 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.81 134.73 40.57 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.506 0.722 . . . . 72.150000000000006 110.866 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.11 -23.78 67.24 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 124.165 0.986 . . . . 74.409999999999997 111.654 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.411 ' O ' HD13 ' B' ' 44' ' ' LEU . 31.3 mmtp -61.67 -35.16 77.19 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.088 0.955 . . . . 74.129999999999995 111.709 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.59 -37.51 87.82 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.1 0.56 . . . . 71.310000000000002 110.976 173.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -64.75 -45.29 87.08 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 115.819 -0.628 . . . . 54.530000000000001 111.47 173.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -65.03 -37.15 86.66 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 122.729 0.412 . . . . 73.230000000000004 111.824 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.411 HD13 ' O ' ' B' ' 40' ' ' LYS . 2.5 mp -67.5 -45.97 74.3 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.337 1.055 . . . . 75.239999999999995 111.295 177.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . 0.481 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -68.08 -44.43 77.22 Favored Glycine 0 CA--C 1.537 1.468 0 CA-C-N 116.116 -0.493 . . . . 55.549999999999997 113.109 178.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 63.8 tp -64.49 -31.85 73.24 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.935 0.894 . . . . 75.319999999999993 111.219 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.87 -31.38 78.15 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-N 115.761 -0.654 . . . . 73.340000000000003 112.451 175.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' TRP . . . . . 0.472 ' O ' ' HG2' ' B' ' 52' ' ' GLU . 8.1 t-105 -75.53 -30.92 59.92 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.587 0.755 . . . . 54.43 111.079 175.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.573 HD23 HG11 ' B' ' 55' ' ' VAL . 6.4 mp -68.71 -33.37 73.83 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 123.125 0.57 . . . . 63.200000000000003 111.377 173.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 94.3 mt -71.72 -35.71 70.26 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.819 0.847 . . . . 73.299999999999997 110.845 171.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.45 ' HB2' ' HB2' ' A' ' 51' ' ' ARG . 19.8 ttt85 -56.64 -48.21 78.03 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.224 1.009 . . . . 74.400000000000006 111.643 172.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' B' ' 48' ' ' TRP . 25.5 mm-40 -78.37 -17.71 56.1 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.196 -0.456 . . . . 74.200000000000003 111.708 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.15 28.32 17.88 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 124.223 1.009 . . . . 71.349999999999994 110.586 -171.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.44 ' HG2' ' HE1' ' B' ' 16' ' ' TRP . 33.0 ttpt -88.56 -5.92 57.88 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 114.692 -1.14 . . . . 75.150000000000006 111.44 -173.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.573 HG11 HD23 ' B' ' 49' ' ' LEU . 29.0 m -133.51 162.71 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 CA-C-O 121.527 0.68 . . . . 73.400000000000006 112.279 175.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 37.6 t -106.94 126.79 62.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 125.609 1.564 . . . . 75.5 109.823 170.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 21.5 p -104.23 136.56 43.61 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 121.432 0.634 . . . . 43.200000000000003 111.404 176.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 47.3 t -147.23 170.64 16.83 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.145 1.378 . . . . 74.129999999999995 109.127 -175.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -120.06 122.24 40.64 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.96 -0.462 . . . . 75.129999999999995 111.828 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.39 107.79 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 123.699 0.8 . . . . 60.229999999999997 109.622 168.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 55.17 39.11 31.34 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.049 1.34 . . . . 71.209999999999994 113.451 173.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.32 -26.36 15.88 Favored Glycine 0 CA--C 1.54 1.609 0 N-CA-C 114.389 0.516 . . . . 52.149999999999999 114.389 -176.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -81.54 149.15 28.8 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.293 0.637 . . . . 74.349999999999994 112.01 177.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 74.2 mt -77.97 105.71 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.391 0.676 . . . . 55.439999999999998 110.501 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -95.1 117.21 29.81 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.273 0.629 . . . . 74.409999999999997 109.984 173.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.43 147.08 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.101 0.56 . . . . 74.420000000000002 110.032 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -145.18 152.16 39.57 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.232 0.613 . . . . 65.0 109.504 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 66.5 mt -72.36 145.78 47.52 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 112.534 0.568 . . . . 75.349999999999994 112.534 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 77.0 t -68.27 135.04 29.23 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 N-CA-C 109.035 -0.728 . . . . 73.0 109.035 165.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 74.5 mt -58.31 108.15 0.58 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.205 0.602 . . . . 72.319999999999993 111.513 -172.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -0.59 52.45 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 124.025 0.93 . . . . 74.230000000000004 112.639 -176.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -59.17 91.11 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.443 1.097 . . . . 75.430000000000007 111.814 -175.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 62.54 37.51 13.14 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.774 1.229 . . . . 73.219999999999999 111.938 -175.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -113.96 13.41 18.27 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.968 0.907 . . . . 63.100000000000001 111.061 173.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -78.36 86.39 4.44 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.06 0.544 . . . . 70.049999999999997 110.561 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 46.4 t60 -143.23 89.5 2.1 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.849 0.859 . . . . 51.409999999999997 109.192 176.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 26.1 t60 . . . . . 0 N--CA 1.479 1.017 0 C-N-CA 123.457 0.703 . . . . 74.329999999999998 110.135 -178.739 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 110.368 -0.234 . . . . 72.540000000000006 110.368 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.8 mttm 63.22 84.78 0.14 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.255 1.422 . . . . 75.519999999999996 112.167 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 52.0 ttm -154.69 152.91 30.5 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.69 0.796 . . . . 54.149999999999999 110.31 179.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.03 -17.43 62.22 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 113.571 0.952 . . . . 73.120000000000005 113.571 178.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 5' ' ' LYS . 43.1 mtpt -64.12 -47.39 80.16 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.388 0.675 . . . . 71.510000000000005 111.165 169.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -73.52 -29.67 62.62 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.296 1.038 . . . . 63.310000000000002 111.08 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -67.02 -43.72 82.14 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 123.591 0.756 . . . . 65.209999999999994 109.909 170.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.29 -31.32 71.89 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.533 0.733 . . . . 73.510000000000005 111.311 171.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.19 -32.11 65.81 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-N 115.792 -0.64 . . . . 43.009999999999998 113.427 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.1 -37.27 69.56 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.271 0.628 . . . . 54.310000000000002 110.666 174.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.621 ' HA ' HE21 ' A' ' 14' ' ' GLN . 84.0 mt -66.81 -36.51 82.55 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.529 0.732 . . . . 44.350000000000001 110.446 171.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.403 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -58.76 -48.2 82.02 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.063 0.945 . . . . 64.099999999999994 112.848 178.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.42 -53.97 32.35 Favored Glycine 0 CA--C 1.537 1.453 0 O-C-N 123.871 0.732 . . . . 71.340000000000003 113.966 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.621 HE21 ' HA ' ' A' ' 11' ' ' LEU . 29.6 pt20 -64.76 -32.98 74.91 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 112.383 0.512 . . . . 75.010000000000005 112.383 -177.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.7 mt -70.3 -39.35 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 C-N-CA 122.853 0.461 . . . . 75.439999999999998 111.16 178.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -60.87 -52.36 65.39 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.936 0.494 . . . . 71.439999999999998 111.099 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.32 -31.91 66.15 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 122.84 0.456 . . . . 74.450000000000003 112.187 175.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.84 -41.13 87.94 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.198 0.599 . . . . 65.230000000000004 111.526 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.557 HD21 HD11 ' A' ' 30' ' ' ILE . 96.1 mt -79.82 -18.0 51.92 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.631 0.772 . . . . 54.210000000000001 112.467 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -74.7 136.75 41.82 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.278 0.631 . . . . 73.049999999999997 110.543 175.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.4 -44.78 3.39 Favored Glycine 0 CA--C 1.541 1.674 0 C-N-CA 122.661 0.172 . . . . 72.099999999999994 113.522 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.6 p -75.27 161.85 28.96 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.071 0.549 . . . . 62.229999999999997 111.61 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -67.38 -10.17 48.58 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 123.732 0.813 . . . . 61.100000000000001 112.698 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 117.95 142.19 7.0 Favored Glycine 0 C--N 1.343 0.971 0 N-CA-C 111.07 -0.812 . . . . 71.540000000000006 111.07 -170.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.429 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 94.2 mt -128.03 154.43 45.66 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 117.481 0.64 . . . . 72.299999999999997 110.836 -172.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.2 p -86.3 170.73 11.8 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.494 0.718 . . . . 74.5 110.508 173.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -27.8 66.99 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 118.345 0.521 . . . . 53.539999999999999 111.992 179.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -69.69 -44.13 71.05 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 124.495 1.118 . . . . 71.430000000000007 111.94 174.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 93.9 mt-30 -76.31 -39.38 54.25 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.487 0.715 . . . . 64.120000000000005 111.91 -176.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.557 HD11 HD21 ' A' ' 19' ' ' LEU . 85.2 mt -64.86 -33.39 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 124.02 0.928 . . . . 74.040000000000006 110.951 173.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HE3' ' HB3' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -52.47 -47.2 66.65 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.826 0.85 . . . . 75.140000000000001 110.593 175.071 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -69.41 -46.46 66.78 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 115.126 -0.943 . . . . 62.0 112.228 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.54 -42.88 99.81 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.686 0.794 . . . . 71.200000000000003 113.038 -174.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.9 p -87.73 -7.51 57.27 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.063 0.945 . . . . 72.040000000000006 112.943 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp 67.51 51.33 0.86 Allowed 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 124.668 1.187 . . . . 65.450000000000003 112.289 176.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -133.18 173.22 11.67 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.461 0.704 . . . . 62.210000000000001 110.875 174.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -124.18 -30.88 3.4 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.465 0.706 . . . . 72.109999999999999 110.877 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.83 108.94 19.4 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.365 0.666 . . . . 71.040000000000006 111.549 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' HB3' ' HE3' ' A' ' 31' ' ' LYS . 2.4 p-10 -59.16 -24.43 63.03 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 124.245 1.018 . . . . 53.119999999999997 112.159 169.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -51.95 -42.81 63.16 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.268 1.027 . . . . 65.530000000000001 112.02 174.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.52 -36.53 71.08 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.783 0.833 . . . . 44.340000000000003 111.134 176.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.418 ' CZ ' HD22 ' A' ' 46' ' ' LEU . 40.3 t80 -59.11 -39.13 81.34 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.724 0.81 . . . . 72.349999999999994 112.116 176.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -66.84 -36.21 81.82 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 122.71 0.404 . . . . 71.0 111.892 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.33 -44.43 91.54 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.641 0.777 . . . . 52.340000000000003 111.249 173.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.432 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -69.12 -49.51 39.98 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-N 116.043 -0.526 . . . . 74.409999999999997 113.779 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.732 HD11 HG21 ' A' ' 66' ' ' VAL . 50.7 tp -64.89 -34.12 77.63 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.65 0.78 . . . . 75.510000000000005 111.311 -178.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.11 -31.02 79.3 Favored Glycine 0 N--CA 1.472 1.077 0 CA-C-N 115.527 -0.761 . . . . 71.219999999999999 112.202 175.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.403 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 10.7 t-105 -77.17 -30.29 54.85 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 123.145 0.578 . . . . 62.530000000000001 111.161 175.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.639 HD23 HG11 ' A' ' 55' ' ' VAL . 6.6 mp -64.59 -37.34 87.22 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.041 0.536 . . . . 71.420000000000002 110.844 171.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.8 mt -66.56 -44.87 81.14 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 122.96 0.504 . . . . 63.340000000000003 111.605 177.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.461 ' HB2' ' HB2' ' B' ' 51' ' ' ARG . 0.1 OUTLIER -65.62 -22.96 66.71 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 113.983 1.105 . . . . 71.420000000000002 113.983 -175.195 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -101.07 -3.43 29.29 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 117.928 0.331 . . . . 64.040000000000006 111.817 173.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.6 t70 62.32 45.83 6.4 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.546 1.138 . . . . 73.340000000000003 110.31 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -84.31 -26.06 28.81 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 114.902 -1.045 . . . . 73.150000000000006 111.13 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.639 HG11 HD23 ' A' ' 49' ' ' LEU . 29.4 m -133.46 158.51 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 113.165 0.802 . . . . 75.049999999999997 113.165 -171.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -120.7 136.1 58.79 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 124.357 1.063 . . . . 72.230000000000004 110.563 170.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.9 p -102.57 134.41 45.97 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.977 0.911 . . . . 73.200000000000003 110.627 -178.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.1 m -121.41 139.7 53.11 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.78 1.232 . . . . 75.540000000000006 109.499 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -98.07 104.14 16.15 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.13 0.572 . . . . 71.030000000000001 110.613 -175.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.6 t -116.43 107.37 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 123.085 0.554 . . . . 61.530000000000001 109.886 174.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.461 ' H ' ' HB3' ' A' ' 77' ' ' HIS . 18.3 mt-10 51.21 36.98 17.21 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 125.144 1.378 . . . . 62.5 113.571 174.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.95 -23.81 15.81 Favored Glycine 0 CA--C 1.541 1.675 0 N-CA-C 114.782 0.673 . . . . 41.219999999999999 114.782 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -70.11 137.11 50.86 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.705 0.802 . . . . 62.100000000000001 111.973 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 59.8 mt -75.64 94.56 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 N-CA-C 109.396 -0.594 . . . . 75.140000000000001 109.396 173.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -98.61 101.86 13.42 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 108.516 -0.92 . . . . 73.209999999999994 108.516 173.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.732 HG21 HD11 ' A' ' 46' ' ' LEU . 7.4 p -116.6 151.83 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 122.934 0.494 . . . . 74.340000000000003 110.531 -176.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.408 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 63.6 pttt -151.66 177.89 9.91 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.939 0.896 . . . . 53.409999999999997 108.943 177.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.7 mt -69.07 166.92 17.11 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.097 0.408 . . . . 64.230000000000004 111.603 175.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 82.0 t -56.63 -29.55 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 C-N-CA 123.043 0.537 . . . . 74.510000000000005 111.125 171.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.4 mt -52.35 98.67 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.306 1.042 . . . . 64.140000000000001 110.637 172.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -70.69 114.21 8.54 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.85 -0.614 . . . . 51.539999999999999 111.723 -172.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -150.55 103.94 3.17 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 115.352 -0.84 . . . . 74.439999999999998 109.031 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 30.5 m170 62.01 85.38 0.12 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 125.067 1.347 . . . . 71.129999999999995 112.56 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -83.76 128.97 34.93 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.217 0.607 . . . . 72.450000000000003 109.735 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -126.99 151.96 47.86 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.308 0.643 . . . . 75.319999999999993 111.322 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -154.47 158.04 39.32 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.592 0.757 . . . . 62.140000000000001 110.746 172.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.461 ' HB3' ' H ' ' A' ' 61' ' ' GLU . 57.1 t-80 . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 121.75 0.786 . . . . 71.230000000000004 109.875 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 36.0 mmt . . . . . 0 CA--C 1.554 1.12 0 CA-C-O 120.585 0.231 . . . . 75.140000000000001 111.527 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt 61.0 39.0 16.96 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.374 1.07 . . . . 74.040000000000006 113.046 176.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 50.2 ttm -63.6 165.89 7.54 Favored 'General case' 0 CA--C 1.564 1.482 0 C-N-CA 123.872 0.869 . . . . 75.150000000000006 111.119 173.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.418 ' H ' HD12 ' B' ' 4' ' ' LEU . 6.3 mp -53.41 -29.94 37.63 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.509 0.723 . . . . 72.120000000000005 111.825 176.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -68.78 -51.22 43.38 Favored 'General case' 0 CA--C 1.559 1.29 0 C-N-CA 124.161 0.984 . . . . 74.239999999999995 111.734 174.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.02 -48.69 80.67 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.651 0.78 . . . . 64.299999999999997 112.274 -175.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -67.17 -29.8 69.59 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 112.824 0.676 . . . . 73.5 112.824 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -24.56 63.46 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.664 0.785 . . . . 71.439999999999998 112.143 173.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.37 -31.32 80.48 Favored Glycine 0 CA--C 1.543 1.796 0 CA-C-N 115.569 -0.741 . . . . 63.32 113.848 172.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.25 89.96 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.11 0.564 . . . . 74.5 111.472 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.67 -38.78 90.25 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 115.768 -0.651 . . . . 74.319999999999993 110.502 174.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.72 -48.4 81.27 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.903 0.881 . . . . 63.439999999999998 112.822 176.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.68 -52.97 44.78 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.308 -0.86 . . . . 33.240000000000002 113.9 -177.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -66.97 -34.51 77.91 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.525 0.73 . . . . 60.009999999999998 112.815 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.653 HD12 ' HA3' ' B' ' 45' ' ' GLY . 69.2 mt -64.9 -43.92 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 C-N-CA 122.877 0.471 . . . . 51.149999999999999 111.079 176.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -59.64 -42.68 93.3 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.44 0.696 . . . . 74.439999999999998 110.83 174.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -66.64 -30.23 70.45 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.929 0.891 . . . . 63.409999999999997 112.359 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.32 -34.26 74.38 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.192 0.597 . . . . 73.209999999999994 111.185 173.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.604 HD21 HD11 ' B' ' 30' ' ' ILE . 91.9 mt -79.34 -26.74 42.06 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.111 0.965 . . . . 73.450000000000003 112.697 176.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -65.11 125.68 25.71 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.992 0.517 . . . . 73.209999999999994 112.106 -172.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.12 -35.52 4.07 Favored Glycine 0 CA--C 1.537 1.423 0 CA-C-N 116.087 -0.506 . . . . 74.120000000000005 113.641 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 60.6 p -84.42 167.51 16.39 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.16 0.584 . . . . 61.32 111.909 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -86.28 34.36 0.63 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.031 0.933 . . . . 64.420000000000002 111.547 173.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.518 ' HA3' ' HG2' ' B' ' 67' ' ' LYS . . . 88.12 157.63 32.25 Favored Glycine 0 C--N 1.346 1.109 0 CA-C-N 116.065 -0.516 . . . . 74.510000000000005 113.754 175.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.468 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 98.3 mt -136.63 156.17 48.91 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.216 1.007 . . . . 72.109999999999999 110.108 -176.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 43.5 p -75.72 171.21 14.74 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.124 0.57 . . . . 75.099999999999994 110.928 172.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -55.38 -40.15 70.98 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.772 0.429 . . . . 61.240000000000002 110.954 172.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -60.77 -53.18 60.54 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 124.018 0.927 . . . . 71.329999999999998 111.945 176.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.468 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 87.1 mm-40 -66.05 -37.29 85.46 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.826 0.85 . . . . 75.540000000000006 112.375 -175.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.604 HD11 HD21 ' B' ' 19' ' ' LEU . 91.7 mt -67.12 -45.38 86.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.276 0.63 . . . . 44.420000000000002 110.765 174.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.489 ' HG2' ' HB2' ' B' ' 36' ' ' LEU . 24.4 mtpp -61.51 -26.62 68.04 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.811 0.444 . . . . 52.43 111.975 176.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -71.25 -54.1 12.07 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.699 0.4 . . . . 73.420000000000002 111.452 171.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.12 -34.29 78.04 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 112.991 0.737 . . . . 74.400000000000006 112.991 -174.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.46 ' OG1' ' HG ' ' B' ' 36' ' ' LEU . 69.1 p -99.72 -13.29 19.37 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 123.943 0.897 . . . . 63.200000000000003 112.227 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . 0.257 14.6 ptmm? 53.31 49.1 20.53 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 125.92 1.688 . . . . 74.329999999999998 112.99 -178.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.56 HD22 ' HB3' ' B' ' 41' ' ' ASP . 98.0 mt -64.46 143.81 57.64 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 114.763 -1.108 . . . . 64.430000000000007 111.526 174.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -73.06 -56.59 4.92 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.365 0.666 . . . . 53.299999999999997 112.278 -175.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.76 173.39 7.24 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.834 0.826 . . . . 73.530000000000001 112.575 -173.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -58.47 -38.77 78.26 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 125.331 1.452 . . . . 64.230000000000004 111.337 174.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.463 ' HA ' ' HD2' ' B' ' 43' ' ' PHE . 35.6 mmtp -68.33 -33.96 75.25 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.484 1.114 . . . . 65.109999999999999 112.86 -175.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.56 ' HB3' HD22 ' B' ' 36' ' ' LEU . 1.2 m-20 -52.34 -35.22 50.41 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 124.745 1.218 . . . . 74.120000000000005 111.789 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -71.88 -42.09 67.21 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.083 -0.962 . . . . 72.209999999999994 112.182 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.463 ' HD2' ' HA ' ' B' ' 40' ' ' LYS . 54.8 m-85 -68.95 -34.1 74.79 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.09 0.556 . . . . 71.019999999999996 112.266 -176.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.95 -38.52 91.39 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.266 0.626 . . . . 73.340000000000003 111.005 173.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . 0.653 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -75.3 -60.5 3.26 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 115.763 -0.653 . . . . 74.219999999999999 113.579 178.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 47.0 tp -58.19 -35.14 71.18 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.242 1.017 . . . . 61.399999999999999 112.62 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.05 -31.29 80.38 Favored Glycine 0 N--CA 1.479 1.524 0 CA-C-O 121.477 0.487 . . . . 72.129999999999995 112.553 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' TRP . . . . . 0.543 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 13.7 t-105 -74.55 -34.69 63.01 Favored 'General case' 0 CA--C 1.564 1.511 0 C-N-CA 124.196 0.998 . . . . 74.140000000000001 110.838 174.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.606 HD23 HG11 ' B' ' 55' ' ' VAL . 5.9 mp -66.8 -35.01 79.08 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.18 0.592 . . . . 62.25 110.701 174.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 79.3 mt -71.63 -34.78 70.09 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.29 1.036 . . . . 73.310000000000002 111.958 173.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' B' ' 48' ' ' TRP . 5.0 ptt180 -60.39 -27.7 67.64 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 112.451 0.537 . . . . 75.219999999999999 112.451 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.463 ' HG3' ' HG3' ' B' ' 51' ' ' ARG . 32.5 mt-10 -112.38 -4.02 14.37 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.189 0.996 . . . . 72.340000000000003 111.878 177.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 p30 48.69 50.88 16.59 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 125.663 1.585 . . . . 71.109999999999999 113.177 -176.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -87.16 -6.09 58.76 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 114.64 -1.164 . . . . 65.150000000000006 110.796 172.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.606 HG11 HD23 ' B' ' 49' ' ' LEU . 26.9 m -130.0 159.5 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.297 1.039 . . . . 52.109999999999999 112.048 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 3.7 p -116.24 122.66 70.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-N 115.378 -0.828 . . . . 63.520000000000003 109.167 165.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 81.5 p -104.25 147.46 27.45 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.121 0.569 . . . . 70.299999999999997 111.229 -174.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 68.0 m -143.65 166.43 24.88 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.118 0.967 . . . . 75.219999999999999 110.138 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -118.46 121.97 41.61 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.479 0.712 . . . . 72.209999999999994 109.722 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -112.37 106.69 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.927 0.891 . . . . 64.510000000000005 109.106 174.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 47.2 50.71 14.01 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 125.5 1.52 . . . . 75.109999999999999 113.307 170.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.81 -27.1 10.42 Favored Glycine 0 CA--C 1.544 1.853 0 CA-C-N 115.462 -0.79 . . . . 74.439999999999998 114.887 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -91.7 154.85 18.7 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 117.641 0.72 . . . . 72.150000000000006 111.816 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 63.2 mt -88.34 122.62 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 123.311 0.644 . . . . 74.200000000000003 110.898 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -121.79 125.8 47.36 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.315 1.046 . . . . 74.140000000000001 108.84 173.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.6 m -129.52 154.52 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 122.752 0.421 . . . . 62.219999999999999 111.88 -173.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.518 ' HG2' ' HA3' ' B' ' 24' ' ' GLY . 48.2 mtpt -130.88 177.05 7.72 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.612 1.165 . . . . 72.519999999999996 109.579 174.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.494 HD23 HG12 ' B' ' 55' ' ' VAL . 68.0 mt -86.37 160.05 19.19 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.566 0.346 . . . . 72.109999999999999 110.383 166.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.11 119.57 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 N-CA-C 109.763 -0.458 . . . . 72.140000000000001 109.763 170.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 74.2 mt -87.91 66.72 8.82 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.552 0.741 . . . . 72.140000000000001 111.624 -171.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -68.13 -35.3 77.89 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.458 1.103 . . . . 74.209999999999994 111.635 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -68.71 -9.11 48.51 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.815 0.846 . . . . 75.140000000000001 113.063 176.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -117.51 145.35 44.28 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.371 0.669 . . . . 73.5 111.253 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -72.87 92.64 1.62 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.17 0.588 . . . . 75.420000000000002 110.217 177.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -92.08 172.86 8.15 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.576 0.75 . . . . 74.299999999999997 110.068 169.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -70.48 141.79 51.97 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 122.689 0.396 . . . . 75.010000000000005 111.453 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 . . . . . 0 N--CA 1.486 1.372 0 C-N-CA 123.931 0.892 . . . . 65.400000000000006 110.776 -178.676 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.3 mtm . . . . . 0 N--CA 1.487 1.407 0 N-CA-C 110.537 -0.172 . . . . 74.439999999999998 110.537 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -102.12 98.24 8.44 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-O 120.923 0.392 . . . . 70.420000000000002 110.438 177.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 56.5 mtm -67.93 163.43 22.11 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.043 0.537 . . . . 73.439999999999998 112.018 177.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.63 -27.37 67.63 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-O 121.157 0.503 . . . . 63.109999999999999 110.601 170.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -70.47 -38.47 74.44 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.822 0.849 . . . . 71.439999999999998 111.669 169.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -64.26 -51.32 64.15 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.417 0.687 . . . . 74.310000000000002 111.783 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -65.85 -32.44 73.96 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 116.596 -0.274 . . . . 74.549999999999997 111.358 177.485 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.455 ' N ' ' HD2' ' A' ' 7' ' ' LYS . . . -63.34 -37.95 89.25 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.11 0.564 . . . . 73.120000000000005 111.159 174.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.6 -32.68 71.18 Favored Glycine 0 CA--C 1.539 1.549 0 CA-C-N 115.714 -0.676 . . . . 64.519999999999996 113.357 173.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.11 -41.71 85.77 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.373 0.669 . . . . 61.140000000000001 111.479 177.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.545 ' HA ' HE21 ' A' ' 14' ' ' GLN . 63.0 mt -75.41 -31.49 60.42 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.599 0.76 . . . . 75.040000000000006 110.676 177.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.87 -55.16 37.95 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.927 0.891 . . . . 62.340000000000003 112.445 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.85 -31.75 47.18 Favored Glycine 0 CA--C 1.537 1.465 0 O-C-N 123.703 0.627 . . . . 62.039999999999999 114.374 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.545 HE21 ' HA ' ' A' ' 11' ' ' LEU . 49.4 mt-30 -73.89 -47.09 40.56 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.612 0.765 . . . . 72.0 111.692 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.415 HG12 HG21 ' A' ' 34' ' ' THR . 54.0 mt -64.57 -43.24 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 122.703 0.401 . . . . 62.210000000000001 110.706 177.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -54.07 -50.23 67.23 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.603 1.161 . . . . 64.310000000000002 111.223 175.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.21 -29.29 68.1 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 115.317 -0.856 . . . . 74.140000000000001 111.685 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.51 -35.92 78.16 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.178 0.591 . . . . 42.219999999999999 111.295 173.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.413 HD23 HD13 ' A' ' 25' ' ' LEU . 74.9 mt -81.48 -24.1 36.96 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.615 0.766 . . . . 70.340000000000003 111.774 176.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -63.58 118.97 8.95 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.552 0.741 . . . . 71.120000000000005 111.22 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.72 -35.07 5.17 Favored Glycine 0 CA--C 1.542 1.745 0 CA-C-N 115.951 -0.568 . . . . 72.420000000000002 113.262 -174.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.0 p -90.07 171.66 9.39 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 112.996 0.739 . . . . 53.130000000000003 112.996 -174.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -91.02 2.33 56.39 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.592 0.757 . . . . 72.439999999999998 111.966 173.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.47 147.71 7.37 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 114.45 0.54 . . . . 71.400000000000006 114.45 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.424 HD23 ' HB3' ' A' ' 29' ' ' GLN . 6.1 mp -124.9 159.23 31.62 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.135 0.974 . . . . 70.239999999999995 109.535 176.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.2 p -89.67 172.08 9.2 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.718 0.407 . . . . 73.510000000000005 110.367 172.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -52.14 -49.98 62.66 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 113.198 0.814 . . . . 74.540000000000006 113.198 -175.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -70.24 -29.8 66.7 Favored 'General case' 0 CA--C 1.56 1.339 0 N-CA-C 112.53 0.567 . . . . 71.209999999999994 112.53 -176.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.424 ' HB3' HD23 ' A' ' 25' ' ' LEU . 50.9 mt-30 -67.31 -44.55 78.89 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 120.938 0.399 . . . . 75.239999999999995 111.331 173.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -68.84 -33.0 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 123.24 0.616 . . . . 73.349999999999994 111.181 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -52.3 -42.98 64.24 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.528 0.731 . . . . 55.130000000000003 111.613 173.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -69.05 -47.63 64.88 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 122.862 0.465 . . . . 71.5 111.378 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.73 93.79 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 112.943 0.72 . . . . 63.130000000000003 112.943 -175.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.415 HG21 HG12 ' A' ' 15' ' ' ILE . 65.9 p -99.24 -13.33 19.74 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.973 0.909 . . . . 64.140000000000001 112.795 -174.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt 63.44 29.62 15.47 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.414 1.086 . . . . 74.099999999999994 112.781 174.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.444 HD21 HD22 ' A' ' 11' ' ' LEU . 92.2 mt -75.86 118.76 18.99 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.913 0.485 . . . . 63.229999999999997 110.523 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -69.89 -54.11 14.94 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.201 0.6 . . . . 71.099999999999994 111.82 -175.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.6 154.58 17.3 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.211 0.604 . . . . 64.230000000000004 111.25 -174.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -60.72 -38.03 83.72 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 124.639 1.176 . . . . 72.519999999999996 111.465 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -57.01 -50.49 72.56 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.21 1.404 . . . . 72.400000000000006 112.077 -175.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.461 ' HB3' HD13 ' A' ' 11' ' ' LEU . 7.9 m-20 -55.04 -37.29 66.51 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.402 1.081 . . . . 61.509999999999998 112.305 178.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -66.18 -45.35 81.14 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 123.512 0.725 . . . . 74.109999999999999 111.856 176.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -69.54 -38.94 77.69 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 112.612 0.597 . . . . 61.32 112.612 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 mp -71.72 -31.93 67.24 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.353 0.661 . . . . 61.329999999999998 110.914 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.98 -62.36 4.55 Favored Glycine 0 CA--C 1.535 1.313 0 CA-C-N 116.242 -0.435 . . . . 31.219999999999999 112.814 174.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.48 -24.64 63.8 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.778 0.431 . . . . 62.109999999999999 110.986 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.39 -30.68 75.52 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 116.362 -0.381 . . . . 72.239999999999995 112.389 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -75.85 -29.27 58.52 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-O 121.399 0.619 . . . . 74.129999999999995 110.367 172.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.573 HD23 HG11 ' A' ' 55' ' ' VAL . 6.5 mp -65.21 -35.81 82.22 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.091 0.556 . . . . 51.409999999999997 110.881 169.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.2 mt -73.47 -34.79 65.54 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.122 0.569 . . . . 65.400000000000006 110.776 173.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.574 ' HA ' ' HD2' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -59.77 -40.7 89.08 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 123.745 0.818 . . . . 74.329999999999998 112.698 -174.561 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -104.17 6.5 35.72 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.622 0.769 . . . . 61.509999999999998 112.17 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 61.0 38.47 17.33 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.079 0.952 . . . . 60.340000000000003 111.835 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -71.22 -25.1 62.35 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.575 1.15 . . . . 73.109999999999999 111.28 174.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.573 HG11 HD23 ' A' ' 49' ' ' LEU . 32.9 m -134.03 166.72 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-O 122.418 1.104 . . . . 73.219999999999999 113.298 -173.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.1 p -128.95 139.5 51.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 CA-C-N 113.182 -1.827 . . . . 72.549999999999997 109.292 169.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.689 HG22 HG12 ' A' ' 66' ' ' VAL . 75.4 p -100.96 171.22 7.78 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.278 0.631 . . . . 71.109999999999999 111.216 -172.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.471 ' HB3' ' HD2' ' A' ' 65' ' ' PHE . 38.7 t -163.21 165.24 24.61 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.207 1.003 . . . . 75.540000000000006 109.956 172.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.502 ' HB2' HD11 ' B' ' 4' ' ' LEU . 1.8 tm-20 -109.23 118.5 36.88 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.825 0.85 . . . . 75.540000000000006 109.721 178.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -117.8 111.95 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 N-CA-C 109.252 -0.647 . . . . 74.420000000000002 109.252 169.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 62.94 34.98 13.67 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 124.213 1.005 . . . . 74.549999999999997 113.017 173.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.87 13.79 82.78 Favored Glycine 0 CA--C 1.542 1.769 0 N-CA-C 114.355 0.502 . . . . 51.5 114.355 -175.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -116.07 150.85 36.65 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 123.963 0.905 . . . . 61.009999999999998 111.187 -175.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.7 mt -73.44 111.15 7.83 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 123.403 0.681 . . . . 65.25 110.759 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.471 ' HD2' ' HB3' ' A' ' 58' ' ' SER . 91.5 t80 -117.55 103.09 9.73 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.73 1.212 . . . . 72.099999999999994 109.29 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.689 HG12 HG22 ' A' ' 57' ' ' THR . 34.0 m -110.26 151.32 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 122.834 0.453 . . . . 63.25 111.016 -176.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.66 158.79 43.92 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.92 0.888 . . . . 74.239999999999995 109.38 177.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.475 HD23 HG12 ' A' ' 55' ' ' VAL . 25.4 mt -61.04 163.69 5.74 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 118.754 0.707 . . . . 75.219999999999999 111.571 176.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.97 87.36 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-O 121.945 0.879 . . . . 70.030000000000001 109.803 173.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 pp -118.8 134.02 55.44 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.632 1.173 . . . . 51.509999999999998 109.414 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -80.29 89.86 5.53 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-O 122.191 0.996 . . . . 71.230000000000004 111.678 -176.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -136.55 108.22 7.01 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.084 0.953 . . . . 62.409999999999997 109.718 173.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -60.38 102.42 0.18 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.964 0.906 . . . . 75.030000000000001 109.617 175.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -116.32 120.41 38.81 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.411 0.684 . . . . 72.409999999999997 109.707 -176.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -69.19 90.94 0.5 Allowed 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.194 0.597 . . . . 72.25 110.916 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 -157.51 120.59 3.99 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.722 0.809 . . . . 75.129999999999995 109.668 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 25.1 p80 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 112.692 0.627 . . . . 72.319999999999993 112.692 178.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 CA--C 1.551 1.018 0 N-CA-C 110.827 -0.064 . . . . 53.439999999999998 110.827 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -81.66 126.09 31.35 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.565 0.346 . . . . 72.209999999999994 110.753 175.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.2 tpt -103.44 171.62 7.27 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 123.345 0.658 . . . . 71.019999999999996 110.145 176.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 59' ' ' GLU . 6.5 mp -59.48 -26.0 64.9 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 123.767 0.827 . . . . 72.209999999999994 111.296 178.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -69.98 -50.28 43.3 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.217 1.007 . . . . 65.430000000000007 111.448 173.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -65.16 -48.18 74.41 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 116.273 -0.421 . . . . 64.099999999999994 111.626 -172.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -27.09 67.3 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 116.138 -0.483 . . . . 75.299999999999997 111.672 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.86 99.6 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 122.9 0.48 . . . . 72.430000000000007 110.94 172.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.22 -33.21 68.89 Favored Glycine 0 C--N 1.347 1.166 0 CA-C-N 115.532 -0.758 . . . . 75.5 113.723 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.76 -52.05 54.18 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.299 0.64 . . . . 50.409999999999997 111.378 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.532 HD22 HD21 ' B' ' 36' ' ' LEU . 93.0 mt -62.48 -34.31 76.58 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.654 0.782 . . . . 73.030000000000001 111.517 177.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.99 -38.6 68.05 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.399 0.679 . . . . 71.450000000000003 112.467 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.26 -50.44 67.76 Favored Glycine 0 CA--C 1.541 1.666 0 CA-C-N 115.979 -0.555 . . . . 70.549999999999997 114.181 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -73.79 -33.09 64.07 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 122.911 0.484 . . . . 64.409999999999997 112.147 -177.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.493 HG23 HG21 ' B' ' 30' ' ' ILE . 94.5 mt -64.63 -44.69 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 C-N-CA 122.908 0.483 . . . . 74.230000000000004 110.589 175.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . 0.489 ' CD1' ' HD3' ' B' ' 54' ' ' LYS . 72.2 t90 -61.84 -42.04 98.55 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.28 0.632 . . . . 75.510000000000005 111.436 175.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -60.78 -37.01 80.43 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.194 0.997 . . . . 74.540000000000006 111.382 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.35 86.96 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.053 0.541 . . . . 70.209999999999994 111.583 174.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.488 HD21 HD11 ' B' ' 30' ' ' ILE . 68.3 mt -81.42 -21.34 38.98 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.099 0.96 . . . . 72.239999999999995 111.821 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.632 ' HA ' HD11 ' B' ' 68' ' ' LEU . 28.7 t-20 -71.22 128.9 37.44 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.489 0.716 . . . . 73.109999999999999 111.096 -177.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.07 3.32 74.97 Favored Glycine 0 CA--C 1.539 1.548 0 N-CA-C 114.921 0.729 . . . . 63.310000000000002 114.921 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.9 p -117.14 171.84 7.68 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.723 0.809 . . . . 73.430000000000007 111.322 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.84 -6.95 45.37 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.137 0.975 . . . . 74.409999999999997 112.798 171.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.533 ' HA3' ' HB3' ' B' ' 67' ' ' LYS . . . 98.56 153.97 28.72 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 112.518 -0.233 . . . . 71.25 112.518 -174.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' B' ' 29' ' ' GLN . 5.8 mp -127.62 159.1 35.69 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.641 0.776 . . . . 64.349999999999994 110.087 -175.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 67.0 p -81.24 168.92 17.96 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 116.367 -0.379 . . . . 70.230000000000004 110.716 170.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -50.67 -49.77 56.35 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 124.083 0.953 . . . . 55.329999999999998 111.755 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -61.59 -41.52 97.55 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 124.504 1.122 . . . . 75.439999999999998 112.449 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.475 ' HB3' HD23 ' B' ' 25' ' ' LEU . 78.9 mt-30 -67.91 -41.24 82.98 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.334 0.654 . . . . 71.25 112.259 178.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.493 HG21 HG23 ' B' ' 15' ' ' ILE . 83.0 mt -64.81 -38.12 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 123.211 0.604 . . . . 73.230000000000004 110.894 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -56.9 -37.41 71.37 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 122.619 0.368 . . . . 61.229999999999997 111.873 175.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -71.7 -43.98 64.99 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 122.882 0.473 . . . . 65.230000000000004 111.577 174.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.66 -43.36 84.77 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.523 0.729 . . . . 51.409999999999997 112.63 -176.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 63.2 p -91.99 -19.07 22.79 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.397 1.079 . . . . 64.209999999999994 112.162 -176.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm 72.1 37.53 0.98 Allowed 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 125.184 1.394 . . . . 70.129999999999995 111.952 -175.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.532 HD21 HD22 ' B' ' 11' ' ' LEU . 78.0 mt -80.31 120.36 24.27 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 122.093 -0.379 . . . . 73.239999999999995 111.504 173.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -69.93 -58.38 3.92 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.974 0.91 . . . . 71.409999999999997 111.269 177.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.74 128.57 43.82 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.204 0.602 . . . . 63.420000000000002 111.281 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -65.55 -26.51 67.91 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.1 0.96 . . . . 74.310000000000002 111.625 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -37.66 67.43 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.98 0.912 . . . . 74.239999999999995 111.988 175.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -75.03 -37.23 61.8 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.642 0.777 . . . . 62.549999999999997 111.332 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -56.86 -43.32 81.07 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.528 0.731 . . . . 61.420000000000002 112.159 176.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -65.22 -33.19 75.41 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 112.834 0.679 . . . . 71.409999999999997 112.834 -177.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.72 -35.25 72.62 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.929 0.492 . . . . 64.319999999999993 111.001 174.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . 0.442 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -69.52 -47.33 50.88 Favored Glycine 0 CA--C 1.539 1.562 0 CA-C-N 116.522 -0.308 . . . . 71.340000000000003 113.06 174.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.9 tp -68.17 -29.71 68.64 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.333 1.053 . . . . 75.010000000000005 111.211 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.47 -31.33 68.34 Favored Glycine 0 N--CA 1.472 1.082 0 CA-C-N 115.42 -0.809 . . . . 30.100000000000001 111.707 174.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' TRP . . . . . 0.444 ' O ' ' HG2' ' B' ' 52' ' ' GLU . 10.7 t-105 -74.06 -30.7 62.52 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 123.854 0.862 . . . . 51.240000000000002 110.79 173.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.529 HD23 HG11 ' B' ' 55' ' ' VAL . 7.1 mp -63.35 -40.22 96.68 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.319 0.648 . . . . 63.310000000000002 111.172 170.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.76 -34.68 78.37 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.741 0.816 . . . . 73.439999999999998 111.529 172.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.574 ' HD2' ' HA ' ' A' ' 51' ' ' ARG . 11.2 ttt85 -58.58 -47.88 82.8 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.531 0.733 . . . . 73.019999999999996 111.247 171.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.501 ' HB2' ' HG2' ' B' ' 54' ' ' LYS . 50.7 mm-40 -79.26 -17.09 55.4 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 116.231 -0.44 . . . . 74.230000000000004 112.038 -175.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 62.03 27.05 16.36 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.611 1.164 . . . . 63.130000000000003 112.558 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.501 ' HG2' ' HB2' ' B' ' 52' ' ' GLU . 15.1 ptpt -91.27 -7.65 50.55 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.644 0.778 . . . . 75.340000000000003 112.318 -178.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.529 HG11 HD23 ' B' ' 49' ' ' LEU . 16.1 m -133.84 162.68 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 CA-C-O 121.631 0.729 . . . . 41.340000000000003 112.526 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.656 HG13 HG22 ' B' ' 69' ' ' VAL . 31.3 m -112.53 133.92 56.76 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 124.628 1.171 . . . . 52.439999999999998 110.278 166.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . 0.515 ' HA ' HG12 ' B' ' 66' ' ' VAL . 74.9 p -103.93 144.04 32.05 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.559 0.744 . . . . 74.439999999999998 110.093 177.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 89.7 p -149.17 170.64 17.97 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.411 0.685 . . . . 71.040000000000006 110.278 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -116.85 120.87 39.85 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.12 0.968 . . . . 72.519999999999996 109.118 175.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 56.3 t -111.21 107.88 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.395 0.678 . . . . 73.340000000000003 109.62 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 52.27 40.29 28.8 Favored 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 125.304 1.442 . . . . 75.129999999999995 114.088 172.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.05 -7.15 67.02 Favored Glycine 0 CA--C 1.542 1.776 0 N-CA-C 115.038 0.775 . . . . 72.219999999999999 115.038 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -109.2 154.73 21.97 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 117.613 0.706 . . . . 70.329999999999998 111.148 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 58.2 mt -81.11 118.09 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 122.849 0.46 . . . . 52.25 110.107 175.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -114.92 130.06 56.83 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.71 -0.848 . . . . 74.310000000000002 108.71 172.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' B' ' 57' ' ' THR . 33.7 m -135.86 154.82 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 123.004 0.522 . . . . 64.230000000000004 111.121 -176.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.533 ' HB3' ' HA3' ' B' ' 24' ' ' GLY . 20.8 ptmt -160.69 -178.44 6.86 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.209 0.604 . . . . 70.120000000000005 110.134 176.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.632 HD11 ' HA ' ' B' ' 20' ' ' ASN . 14.5 mt -76.25 -179.19 4.91 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 112.516 0.561 . . . . 71.530000000000001 112.516 -175.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.656 HG22 HG13 ' B' ' 56' ' ' VAL . 4.4 t -111.85 -1.24 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 C-N-CA 123.815 0.846 . . . . 75.150000000000006 110.427 168.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.43 HD23 ' H ' ' B' ' 69' ' ' VAL . 0.9 OUTLIER -132.94 46.65 2.59 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.508 0.723 . . . . 75.120000000000005 112.448 -164.727 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.68 108.45 2.48 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 122.052 -0.405 . . . . 74.140000000000001 110.239 175.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -67.66 109.0 3.12 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.266 0.627 . . . . 63.43 111.473 -174.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -71.89 85.13 0.96 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.63 0.772 . . . . 71.5 109.672 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -78.0 75.53 4.53 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-O 122.251 1.024 . . . . 72.239999999999995 110.468 -176.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -147.5 142.88 27.41 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.396 1.478 . . . . 75.129999999999995 109.367 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -87.67 -14.43 39.94 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 123.447 0.699 . . . . 74.540000000000006 111.618 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 . . . . . 0 N--CA 1.487 1.388 0 C-N-CA 123.243 0.617 . . . . 74.450000000000003 110.966 177.73 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 112.406 0.521 . . . . 73.430000000000007 112.406 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -55.55 -58.42 7.87 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 123.844 0.858 . . . . 70.109999999999999 112.217 -174.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.563 ' HB2' ' HG2' ' A' ' 6' ' ' GLU . 92.7 mmm -123.72 161.4 25.22 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.565 0.746 . . . . 63.009999999999998 109.621 172.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.484 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 8.7 mp -68.14 -19.23 64.79 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.089 0.471 . . . . 74.120000000000005 111.384 176.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -74.94 -45.74 40.4 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.35 1.06 . . . . 72.150000000000006 110.774 172.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.563 ' HG2' ' HB2' ' A' ' 3' ' ' MET . 20.9 mm-40 -71.9 -41.25 68.18 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 115.628 -0.714 . . . . 64.129999999999995 111.918 -173.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.484 ' HG2' ' HA ' ' A' ' 4' ' ' LEU . 20.2 ptmt -60.74 -37.25 81.13 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.629 0.371 . . . . 71.25 111.306 175.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 7' ' ' LYS . . . -61.44 -32.41 72.38 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.646 0.779 . . . . 61.43 110.852 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.32 -36.81 59.45 Favored Glycine 0 CA--C 1.537 1.469 0 CA-C-N 114.97 -1.014 . . . . 54.32 113.298 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.65 82.48 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.076 0.55 . . . . 60.009999999999998 111.17 175.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.07 -36.32 81.75 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.075 0.95 . . . . 71.120000000000005 110.593 175.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -58.97 -29.74 67.4 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.836 -0.62 . . . . 63.43 112.216 175.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.86 -54.98 29.49 Favored Glycine 0 CA--C 1.534 1.273 0 O-C-N 123.418 0.449 . . . . 35.439999999999998 113.156 174.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -74.96 -37.44 61.96 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 113.122 0.786 . . . . 63.520000000000003 113.122 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.584 HG23 HG21 ' A' ' 30' ' ' ILE . 83.0 mt -67.93 -41.33 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 123.195 0.598 . . . . 53.439999999999998 111.012 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -65.65 -41.86 92.08 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 122.829 0.452 . . . . 71.420000000000002 111.224 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -62.21 -29.55 70.46 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 112.397 0.517 . . . . 73.409999999999997 112.397 176.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.44 91.04 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 121.238 0.542 . . . . 72.230000000000004 110.925 172.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.527 ' HA ' HD13 ' A' ' 25' ' ' LEU . 51.4 mt -80.38 -23.71 40.27 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.466 1.106 . . . . 52.509999999999998 112.121 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -69.91 133.63 47.54 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.643 0.777 . . . . 73.420000000000002 111.516 -174.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.38 10.77 75.43 Favored Glycine 0 CA--C 1.538 1.525 0 CA-C-N 115.702 -0.681 . . . . 61.219999999999999 114.008 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 m -127.33 159.98 32.76 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.995 0.918 . . . . 75.329999999999998 110.645 -177.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -59.75 -30.03 68.56 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.452 1.101 . . . . 64.400000000000006 113.366 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.669 ' HA3' ' HG2' ' A' ' 67' ' ' LYS . . . 133.11 141.69 4.64 Favored Glycine 0 N--CA 1.477 1.405 0 N-CA-C 111.853 -0.499 . . . . 52.100000000000001 111.853 -171.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 19' ' ' LEU . 7.0 mp -123.68 153.36 40.92 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.329 0.652 . . . . 73.349999999999994 111.334 -170.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.7 p -84.89 -177.54 6.6 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.492 0.717 . . . . 75.129999999999995 110.454 171.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 42.4 mt-30 -57.07 -49.62 75.3 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 119.278 -0.392 . . . . 73.409999999999997 111.592 173.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -58.53 -43.0 89.06 Favored 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 123.519 0.728 . . . . 74.400000000000006 112.347 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.446 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 19.3 mm-40 -67.0 -44.65 79.84 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 115.883 -0.599 . . . . 74.150000000000006 111.98 -176.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.584 HG21 HG23 ' A' ' 15' ' ' ILE . 73.0 mt -67.55 -42.2 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 C-N-CA 122.666 0.386 . . . . 71.450000000000003 110.44 175.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 42.3 tttp -55.88 -35.67 66.76 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 125.367 1.467 . . . . 72.219999999999999 111.426 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -66.41 -52.31 47.93 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-N 114.989 -1.005 . . . . 74.299999999999997 111.061 172.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.49 -22.06 59.26 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 113.611 0.967 . . . . 51.43 113.611 -172.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.8 p -108.8 -19.02 13.56 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.717 0.807 . . . . 70.239999999999995 112.394 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm 67.97 32.39 5.12 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.441 1.096 . . . . 74.120000000000005 112.121 177.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.8 mt -87.87 96.55 10.52 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.733 0.413 . . . . 64.150000000000006 110.652 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -39.93 93.1 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 123.955 0.902 . . . . 72.549999999999997 111.637 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.35 119.95 33.88 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.742 0.817 . . . . 74.200000000000003 110.352 177.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -67.72 -24.4 65.37 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 122.673 0.389 . . . . 64.310000000000002 111.704 176.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -52.04 -41.61 62.44 Favored 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 123.865 0.866 . . . . 64.209999999999994 111.251 174.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -69.99 -44.27 69.72 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.405 1.082 . . . . 74.239999999999995 109.786 177.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.417 ' CE2' ' HG2' ' A' ' 27' ' ' GLN . 52.0 t80 -57.36 -44.0 83.97 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.791 1.236 . . . . 64.230000000000004 113.108 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -63.47 -32.78 74.32 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 123.455 0.702 . . . . 72.439999999999998 112.541 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.75 -43.38 93.51 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 122.923 0.489 . . . . 75.439999999999998 111.028 174.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.533 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -67.99 -48.92 51.25 Favored Glycine 0 C--N 1.35 1.354 0 CA-C-N 116.307 -0.406 . . . . 75.519999999999996 113.412 177.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.666 HD11 HG11 ' A' ' 66' ' ' VAL . 58.9 tp -65.15 -32.58 74.34 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.834 0.854 . . . . 73.120000000000005 111.482 178.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.79 -31.6 76.14 Favored Glycine 0 N--CA 1.47 0.959 0 CA-C-N 115.304 -0.862 . . . . 54.439999999999998 111.824 175.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.529 ' HA ' ' HB3' ' A' ' 51' ' ' ARG . 20.8 t-105 -74.55 -27.94 60.73 Favored 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 123.279 0.631 . . . . 75.209999999999994 110.721 174.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.556 HD23 HG11 ' A' ' 55' ' ' VAL . 6.6 mp -64.65 -39.09 93.08 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 123.018 0.527 . . . . 75.140000000000001 111.314 171.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.533 HD21 HG23 ' A' ' 57' ' ' THR . 68.5 mt -68.93 -35.39 76.74 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.902 0.481 . . . . 53.43 111.141 172.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.529 ' HB3' ' HA ' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -60.41 -42.13 95.35 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.073 0.949 . . . . 74.349999999999994 110.698 175.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -83.06 -11.51 57.97 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.272 0.629 . . . . 73.319999999999993 112.191 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 70.44 18.84 6.53 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 125.374 1.47 . . . . 74.129999999999995 112.464 -176.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -79.36 -14.93 58.65 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 113.782 1.03 . . . . 72.099999999999994 113.782 -174.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.556 HG11 HD23 ' A' ' 49' ' ' LEU . 32.7 m -132.88 154.2 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 N-CA-C 113.35 0.87 . . . . 72.129999999999995 113.35 -176.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -105.03 129.7 57.29 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 CA-C-N 114.686 -1.143 . . . . 73.430000000000007 109.201 171.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.533 HG23 HD21 ' A' ' 50' ' ' LEU . 15.5 p -101.69 134.21 45.19 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.746 0.784 . . . . 73.510000000000005 111.681 -176.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.3 t -146.01 171.63 14.58 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.199 1.4 . . . . 62.020000000000003 108.405 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -126.86 119.87 27.84 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.76 -0.459 . . . . 63.030000000000001 109.76 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.4 t -104.82 110.5 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.136 0.974 . . . . 75.540000000000006 109.821 178.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 51.37 42.1 28.83 Favored 'General case' 0 CA--C 1.564 1.514 0 C-N-CA 125.518 1.527 . . . . 73.299999999999997 113.677 170.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.18 8.34 61.54 Favored Glycine 0 CA--C 1.537 1.466 0 N-CA-C 115.274 0.869 . . . . 63.109999999999999 115.274 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -136.07 154.47 51.01 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 118.017 0.908 . . . . 53.240000000000002 110.777 176.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 61.6 mt -76.76 130.48 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 122.983 0.513 . . . . 74.519999999999996 110.857 -176.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -128.6 129.53 46.05 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.584 1.153 . . . . 73.120000000000005 109.766 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.666 HG11 HD11 ' A' ' 46' ' ' LEU . 25.7 m -131.6 151.07 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.332 0.653 . . . . 74.140000000000001 112.141 -175.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.669 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 38.6 mtmm -134.96 161.4 35.38 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.793 0.837 . . . . 73.150000000000006 109.671 176.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.0 mt -77.3 136.48 38.48 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 117.768 0.258 . . . . 70.120000000000005 111.514 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.7 t -79.4 77.16 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-O 122.012 0.911 . . . . 63.439999999999998 109.668 172.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.7 mt -91.7 -13.75 31.19 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 114.985 -1.007 . . . . 74.099999999999994 110.429 174.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -133.14 135.03 44.94 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.405 1.082 . . . . 71.540000000000006 110.005 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -107.91 102.36 11.55 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.917 0.887 . . . . 71.099999999999994 111.32 -174.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -159.83 163.76 34.21 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.047 0.939 . . . . 74.219999999999999 111.245 175.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -80.45 84.53 6.05 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-O 121.189 0.519 . . . . 74.230000000000004 111.067 176.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -90.85 -5.34 55.69 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.423 0.63 . . . . 74.420000000000002 109.786 171.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.441 ' ND1' ' SD ' ' B' ' 3' ' ' MET . 83.7 m-70 -133.76 167.12 21.12 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.32 1.048 . . . . 74.319999999999993 110.728 178.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 . . . . . 0 N--CA 1.481 1.116 0 C-N-CA 123.914 0.885 . . . . 52.140000000000001 109.845 174.514 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.4 mmt . . . . . 0 CA--C 1.549 0.933 0 CA-C-O 120.588 0.232 . . . . 74.049999999999997 111.207 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -88.71 130.12 35.39 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.596 0.758 . . . . 65.310000000000002 110.314 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.441 ' SD ' ' ND1' ' A' ' 76' ' ' HIS . 31.3 mmt -83.83 174.58 10.29 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 114.203 1.186 . . . . 64.540000000000006 114.203 -166.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.65 -26.76 66.38 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.405 1.082 . . . . 73.010000000000005 111.929 -175.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -74.44 -38.46 63.0 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.039 0.447 . . . . 70.420000000000002 110.531 172.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -77.24 -39.18 49.36 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 112.781 0.66 . . . . 73.329999999999998 112.781 -173.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -26.34 68.52 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 118.05 0.387 . . . . 74.129999999999995 111.61 175.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.36 -41.46 84.79 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.516 0.726 . . . . 63.409999999999997 111.475 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.13 -35.44 64.27 Favored Glycine 0 CA--C 1.539 1.581 0 CA-C-N 115.794 -0.639 . . . . 64.310000000000002 114.427 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.27 -46.98 72.07 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 121.236 0.541 . . . . 65.530000000000001 111.307 177.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.439 HD13 ' HB3' ' B' ' 41' ' ' ASP . 88.6 mt -68.94 -30.44 68.89 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.612 0.765 . . . . 74.200000000000003 111.266 176.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.03 81.84 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.646 0.779 . . . . 60.43 111.774 174.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.33 -45.3 92.97 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-N 115.725 -0.671 . . . . 52.119999999999997 112.829 173.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.45 -50.48 63.19 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.731 0.812 . . . . 73.450000000000003 111.643 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.584 HG23 HG21 ' B' ' 30' ' ' ILE . 82.6 mt -60.65 -44.52 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 124.192 0.997 . . . . 75.200000000000003 111.784 -177.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -63.68 -43.39 96.81 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 116.156 -0.474 . . . . 75.439999999999998 111.309 177.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -64.2 -28.39 69.72 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 112.506 0.558 . . . . 65.299999999999997 112.506 177.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.99 89.05 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 121.181 0.515 . . . . 51.399999999999999 110.962 172.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.445 HD21 HD11 ' B' ' 30' ' ' ILE . 79.7 mt -79.48 -24.58 42.24 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.215 1.006 . . . . 75.140000000000001 111.966 177.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -68.21 126.89 30.98 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.005 0.922 . . . . 75.099999999999994 111.22 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.02 10.9 84.17 Favored Glycine 0 CA--C 1.54 1.602 0 CA-C-N 115.919 -0.582 . . . . 64.439999999999998 113.681 -174.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.6 m -126.42 159.33 33.6 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.821 0.848 . . . . 64.209999999999994 111.079 -175.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -66.19 -25.22 66.84 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.767 1.227 . . . . 53.439999999999998 113.076 175.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.47 145.76 6.73 Favored Glycine 0 C--N 1.348 1.21 0 N-CA-C 112.206 -0.358 . . . . 74.319999999999993 112.206 -171.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.45 HD23 ' HB3' ' B' ' 29' ' ' GLN . 4.8 mp -126.49 161.08 28.79 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.102 0.561 . . . . 74.310000000000002 110.523 -177.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 69.8 p -81.03 171.56 14.82 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 116.187 -0.46 . . . . 73.299999999999997 110.484 172.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -47.23 82.42 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 112.324 0.49 . . . . 73.439999999999998 112.324 -176.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -65.72 -41.32 92.43 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.268 0.627 . . . . 74.150000000000006 111.733 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.45 ' HB3' HD23 ' B' ' 25' ' ' LEU . 48.8 mt-30 -58.44 -43.25 88.7 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.261 0.624 . . . . 70.329999999999998 111.902 179.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.584 HG21 HG23 ' B' ' 15' ' ' ILE . 73.9 mt -71.84 -46.45 60.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.245 0.618 . . . . 73.120000000000005 111.28 178.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -56.85 -33.13 66.49 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 123.254 0.622 . . . . 74.340000000000003 111.99 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -70.18 -53.14 18.43 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 123.272 0.629 . . . . 72.340000000000003 111.581 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.57 -48.69 79.8 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.657 0.783 . . . . 73.530000000000001 112.285 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.425 ' OG1' ' HG ' ' B' ' 36' ' ' LEU . 49.9 p -83.53 -12.82 55.73 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 124.329 1.052 . . . . 74.200000000000003 112.171 -179.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.1 38.57 2.64 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 125.246 1.418 . . . . 65.510000000000005 112.588 175.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' B' ' 41' ' ' ASP . 86.9 mt -65.39 148.9 50.9 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.617 0.767 . . . . 70.230000000000004 111.511 175.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -93.3 -50.99 5.2 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.2 0.6 . . . . 73.099999999999994 111.073 -178.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.73 157.91 17.1 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.616 0.766 . . . . 60.229999999999997 111.201 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.49 -32.51 73.98 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 115.336 -0.847 . . . . 61.409999999999997 110.09 165.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -59.66 -36.36 76.27 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.11 0.964 . . . . 73.310000000000002 112.078 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.47 ' HB3' HD22 ' B' ' 36' ' ' LEU . 66.3 m-20 -63.26 -34.92 78.72 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.454 0.702 . . . . 64.310000000000002 110.874 175.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -74.69 -40.08 61.58 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 115.592 -0.731 . . . . 74.329999999999998 111.807 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -66.42 -43.95 84.28 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 122.717 0.407 . . . . 63.32 111.925 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.51 -37.35 74.14 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.215 0.606 . . . . 71.329999999999998 110.714 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . 0.503 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -63.94 -56.62 17.58 Favored Glycine 0 CA--C 1.538 1.499 0 CA-C-N 116.369 -0.378 . . . . 74.239999999999995 113.246 176.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.85 -28.6 69.1 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 123.44 0.696 . . . . 65.219999999999999 110.486 177.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.09 -31.61 81.37 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 115.952 -0.567 . . . . 74.420000000000002 112.233 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' TRP . . . . . 0.481 ' HA ' ' HG3' ' B' ' 51' ' ' ARG . 12.9 t-105 -73.42 -34.34 65.4 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-O 120.924 0.392 . . . . 75.319999999999993 110.278 173.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.594 HD23 HG11 ' B' ' 55' ' ' VAL . 6.5 mp -62.3 -32.79 73.58 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.073 0.549 . . . . 71.150000000000006 111.283 171.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 84.2 mt -71.05 -38.84 72.53 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.322 0.649 . . . . 64.200000000000003 111.888 175.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.481 ' HG3' ' HA ' ' B' ' 48' ' ' TRP . 0.1 OUTLIER -74.39 -21.41 59.66 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.944 -0.473 . . . . 63.140000000000001 111.794 176.341 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -85.22 -16.16 41.18 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.725 0.41 . . . . 73.140000000000001 111.102 170.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 27.8 t70 67.5 22.49 9.26 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 125.246 1.418 . . . . 72.329999999999998 111.579 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -88.14 -6.85 57.65 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.118 0.784 . . . . 73.409999999999997 113.118 -176.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.594 HG11 HD23 ' B' ' 49' ' ' LEU . 33.4 m -134.18 161.7 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 CA-C-O 122.066 0.936 . . . . 75.25 112.969 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -129.63 130.34 66.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 113.937 -1.483 . . . . 65.120000000000005 108.466 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . 0.67 HG22 HG12 ' B' ' 66' ' ' VAL . 76.2 p -105.01 132.05 51.75 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.498 0.719 . . . . 72.120000000000005 110.246 -170.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 50.3 p -139.42 163.75 31.7 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.085 0.954 . . . . 63.420000000000002 109.881 -175.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -109.65 119.31 39.01 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.614 0.366 . . . . 75.409999999999997 110.953 -176.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 73.6 t -110.1 109.33 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 108.803 -0.814 . . . . 74.549999999999997 108.803 169.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 54.45 50.88 15.18 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 125.029 1.332 . . . . 72.209999999999994 113.067 175.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.14 7.62 86.81 Favored Glycine 0 CA--C 1.54 1.615 0 N-CA-C 115.195 0.838 . . . . 64.239999999999995 115.195 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -122.66 156.9 33.4 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 117.841 0.82 . . . . 75.239999999999995 111.819 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 57.9 mt -80.99 116.26 24.99 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.066 0 CA-C-N 115.608 -0.724 . . . . 64.319999999999993 110.781 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -116.19 103.82 10.91 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.029 1.332 . . . . 75.219999999999999 108.693 177.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.67 HG12 HG22 ' B' ' 57' ' ' THR . 19.0 m -98.42 146.52 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 122.742 0.417 . . . . 72.209999999999994 110.23 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -153.96 154.85 34.54 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.963 0.505 . . . . 73.209999999999994 110.033 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.53 HD23 HG12 ' B' ' 55' ' ' VAL . 61.6 mt -68.56 150.13 48.39 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 118.048 0.386 . . . . 61.100000000000001 111.984 -176.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.2 t -74.67 79.15 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-O 121.958 0.885 . . . . 61.0 109.626 175.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 65.8 mt -106.14 -57.08 2.1 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.155 0.982 . . . . 75.019999999999996 108.974 177.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -108.63 143.1 38.13 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.957 0.903 . . . . 71.129999999999995 110.543 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -93.11 45.33 1.17 Allowed 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 124.385 1.074 . . . . 72.129999999999995 111.212 177.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -74.7 125.74 29.36 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.656 0.782 . . . . 74.239999999999995 111.427 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -82.68 142.87 31.34 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.794 0.838 . . . . 74.299999999999997 111.041 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -92.53 159.63 15.42 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.08 0.552 . . . . 74.530000000000001 111.158 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -99.84 173.84 6.49 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.469 0.708 . . . . 64.530000000000001 110.689 171.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 30.1 p80 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 121.666 0.746 . . . . 64.150000000000006 112.42 -176.187 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.7 mtt . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 120.714 0.293 . . . . 73.219999999999999 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -70.85 -39.76 72.76 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 109.672 -0.492 . . . . 54.32 109.672 176.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.5 ptm -141.43 163.75 32.08 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.658 0.783 . . . . 73.530000000000001 110.437 172.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.9 mt -69.27 -25.52 64.31 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 112.006 0.373 . . . . 74.329999999999998 112.006 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -65.15 -34.1 77.58 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 123.544 0.738 . . . . 74.239999999999995 111.008 173.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -68.91 -51.31 41.31 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.571 0.748 . . . . 72.140000000000001 111.175 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -22.54 62.87 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 112.277 0.473 . . . . 71.109999999999999 112.277 -175.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.68 -36.87 82.12 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.811 0.445 . . . . 74.140000000000001 110.689 169.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.11 -32.07 72.57 Favored Glycine 0 CA--C 1.538 1.519 0 CA-C-N 115.308 -0.86 . . . . 73.310000000000002 113.958 172.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.59 -45.42 75.57 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 122.986 0.515 . . . . 71.109999999999999 111.443 174.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.06 -39.47 89.99 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.534 0.734 . . . . 72.400000000000006 110.71 173.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.548 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -59.5 -43.12 93.42 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.848 0.859 . . . . 72.439999999999998 112.367 174.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.471 ' O ' ' HG2' ' A' ' 17' ' ' GLU . . . -57.19 -53.87 41.39 Favored Glycine 0 C--N 1.344 1.013 0 CA-C-N 115.069 -0.969 . . . . 64.349999999999994 113.771 -178.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -65.35 -32.81 74.65 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.401 0.519 . . . . 72.340000000000003 112.401 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.521 HG23 HG21 ' A' ' 30' ' ' ILE . 87.5 mt -68.14 -44.42 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 123.037 0.535 . . . . 73.230000000000004 111.053 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.455 ' NE1' ' HG2' ' A' ' 54' ' ' LYS . 51.9 t90 -66.49 -43.24 85.91 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 119.7 -0.191 . . . . 73.430000000000007 110.892 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 13' ' ' GLY . 44.4 mm-40 -64.83 -31.4 72.61 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 117.813 0.279 . . . . 71.349999999999994 111.203 178.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.66 -29.46 66.91 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.229 0.612 . . . . 75.329999999999998 111.694 173.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.5 mt -91.75 -10.94 38.22 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.664 0.786 . . . . 64.310000000000002 112.725 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -69.97 125.27 26.25 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 121.983 -0.448 . . . . 63.130000000000003 109.948 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.93 3.73 85.26 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-N 116.238 -0.437 . . . . 53.43 113.234 -174.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.9 p -112.39 152.73 28.29 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.473 0.709 . . . . 73.430000000000007 109.832 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -83.48 -7.27 59.57 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.009 0.524 . . . . 75.120000000000005 112.314 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.53 126.63 3.21 Favored Glycine 0 C--N 1.354 1.537 0 C-N-CA 123.014 0.34 . . . . 61.299999999999997 113.475 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mp -124.66 171.39 10.1 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.794 0.838 . . . . 72.129999999999995 110.804 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 65' ' ' PHE . 42.7 p -85.68 168.19 14.61 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.693 0.397 . . . . 65.319999999999993 110.478 176.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.442 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -65.43 -37.24 86.34 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 113.266 0.839 . . . . 75.420000000000002 113.266 -166.011 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -70.54 -32.31 69.69 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.714 0.806 . . . . 71.510000000000005 111.863 177.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.417 ' NE2' ' H ' ' A' ' 26' ' ' THR . 49.5 mt-30 -67.9 -41.33 82.85 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.257 0.623 . . . . 74.010000000000005 111.318 176.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.521 HG21 HG23 ' A' ' 15' ' ' ILE . 21.9 mt -67.67 -39.01 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 C-N-CA 122.879 0.472 . . . . 73.109999999999999 110.291 176.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -58.17 -32.71 68.49 Favored 'General case' 0 CA--C 1.559 1.327 0 C-N-CA 124.57 1.148 . . . . 75.519999999999996 111.333 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -66.5 -53.93 29.61 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.637 0.775 . . . . 74.329999999999998 111.299 169.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.66 -34.9 71.75 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.94 0.896 . . . . 60.030000000000001 112.568 -174.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.2 p -94.92 -18.55 21.02 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.274 1.029 . . . . 63.130000000000003 112.373 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 63.51 25.31 14.39 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 124.487 1.115 . . . . 70.409999999999997 112.613 -177.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.88 119.96 12.22 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.08 0.552 . . . . 74.230000000000004 110.306 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -71.71 -32.37 67.73 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 112.581 0.585 . . . . 74.140000000000001 112.581 -170.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.62 143.69 44.99 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 121.446 0.641 . . . . 71.549999999999997 110.681 173.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -66.85 -24.62 66.17 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.761 0.824 . . . . 53.539999999999999 110.662 170.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -61.27 -45.29 95.13 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.408 1.083 . . . . 74.439999999999998 113.023 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -75.74 -28.12 58.38 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.041 0.448 . . . . 55.520000000000003 110.771 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.442 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 81.6 t80 -58.97 -39.89 83.13 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.497 0.719 . . . . 60.350000000000001 111.165 167.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.56 ' HE2' ' HD2' ' B' ' 40' ' ' LYS . 22.0 m-85 -65.94 -32.95 74.74 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 122.758 0.423 . . . . 74.230000000000004 111.961 177.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -68.21 -39.25 82.44 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.994 0.517 . . . . 73.129999999999995 110.933 173.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.413 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -71.19 -62.13 3.65 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 116.337 -0.392 . . . . 54.210000000000001 113.38 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.459 HD11 HG11 ' A' ' 66' ' ' VAL . 58.0 tp -56.66 -34.2 67.12 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 124.364 1.066 . . . . 73.200000000000003 112.339 175.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.9 -32.48 82.85 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 116.122 -0.49 . . . . 54.210000000000001 112.458 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.548 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 38.1 t-105 -75.83 -24.32 55.81 Favored 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 123.16 0.584 . . . . 75.109999999999999 110.985 172.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.613 HD23 HG11 ' A' ' 55' ' ' VAL . 6.6 mp -67.42 -30.47 70.24 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.879 -0.513 . . . . 34.43 111.136 169.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.549 HD21 HG23 ' A' ' 57' ' ' THR . 89.7 mt -75.37 -33.98 61.09 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.63 0.772 . . . . 72.409999999999997 111.252 171.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.494 ' HG2' ' HA ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -55.75 -45.85 77.95 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.245 1.018 . . . . 72.200000000000003 109.922 170.447 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -77.37 -22.44 51.7 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 123.881 0.872 . . . . 72.329999999999998 111.18 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.0 t70 62.7 22.1 13.14 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.746 1.219 . . . . 73.420000000000002 110.727 -173.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.455 ' HG2' ' NE1' ' A' ' 16' ' ' TRP . 23.3 ttpp -88.93 1.96 54.59 Favored 'General case' 0 CA--C 1.565 1.552 0 C-N-CA 125.075 1.35 . . . . 44.439999999999998 112.199 -174.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.613 HG11 HD23 ' A' ' 49' ' ' LEU . 33.6 m -134.07 169.07 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 CA-C-O 121.444 0.64 . . . . 62.420000000000002 111.814 169.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.4 t -117.13 130.53 71.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 C-N-CA 124.897 1.279 . . . . 74.430000000000007 109.668 172.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.549 HG23 HD21 ' A' ' 50' ' ' LEU . 21.2 p -103.43 133.53 48.33 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.395 0.678 . . . . 73.030000000000001 110.864 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.0 t -144.27 169.75 17.3 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.256 1.022 . . . . 42.32 110.293 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.457 ' HB2' HD11 ' B' ' 4' ' ' LEU . 32.2 tt0 -114.31 114.78 26.39 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.97 0.908 . . . . 73.310000000000002 109.937 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.612 HG12 ' HG2' ' A' ' 61' ' ' GLU . 76.1 t -131.71 127.91 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 123.477 0.711 . . . . 64.239999999999995 109.648 174.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.612 ' HG2' HG12 ' A' ' 60' ' ' VAL . 10.8 mm-40 62.73 31.33 16.66 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.164 1.386 . . . . 72.510000000000005 112.46 176.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 73.05 20.53 80.0 Favored Glycine 0 C--N 1.354 1.575 0 CA-C-N 116.256 -0.429 . . . . 34.049999999999997 114.007 -178.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -136.37 162.87 31.84 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.127 0.571 . . . . 75.549999999999997 111.357 -177.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.407 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 56.0 mt -72.23 104.75 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.117 0 C-N-CA 123.574 0.75 . . . . 73.439999999999998 110.553 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.433 ' HA ' ' HA ' ' A' ' 26' ' ' THR . 86.0 t80 -100.73 121.27 41.38 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.716 0.806 . . . . 74.030000000000001 109.377 173.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.459 HG11 HD11 ' A' ' 46' ' ' LEU . 22.7 m -124.66 156.93 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-O 121.563 0.697 . . . . 61.100000000000001 111.695 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -143.81 159.44 42.52 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 114.713 -1.13 . . . . 63.439999999999998 108.812 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.0 mt -73.92 158.8 33.77 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 118.201 0.455 . . . . 72.129999999999995 110.808 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 51.2 t -79.2 80.45 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 108.29 -1.004 . . . . 63.329999999999998 108.29 168.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.466 HD23 ' H ' ' A' ' 70' ' ' LEU . 1.6 pt? -97.03 125.7 41.65 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 114.49 -1.232 . . . . 55.240000000000002 110.718 -172.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -113.93 -3.04 13.43 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 113.213 0.82 . . . . 74.439999999999998 113.213 -172.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -62.52 -39.59 94.04 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 122.822 0.449 . . . . 65.120000000000005 110.791 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -152.57 123.72 7.58 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.832 0.853 . . . . 71.430000000000007 109.611 175.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -73.97 130.26 39.52 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 122.907 0.483 . . . . 73.150000000000006 111.5 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -84.29 116.93 23.25 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.978 0.511 . . . . 73.109999999999999 109.895 176.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -79.02 5.37 11.94 Favored 'General case' 0 CA--C 1.567 1.597 0 C-N-CA 123.801 0.84 . . . . 74.430000000000007 112.87 -171.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.6 p80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 121.492 0.663 . . . . 72.310000000000002 111.014 170.587 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 61.5 mtt . . . . . 0 CA--C 1.551 0.997 0 CA-C-O 120.688 0.28 . . . . 64.219999999999999 111.301 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -77.86 -3.14 40.1 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.144 0.978 . . . . 62.130000000000003 112.458 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.652 ' HB2' ' HG2' ' B' ' 6' ' ' GLU . 89.6 mmm -86.91 138.12 31.8 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.197 0.599 . . . . 74.120000000000005 110.396 176.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.466 ' HB2' ' HB ' ' A' ' 57' ' ' THR . 8.3 mp -68.12 -17.88 64.48 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 122.975 0.51 . . . . 55.409999999999997 111.276 176.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -65.4 -43.51 90.38 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.075 0.95 . . . . 74.540000000000006 110.617 169.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.652 ' HG2' ' HB2' ' B' ' 3' ' ' MET . 11.3 mm-40 -74.76 -27.73 60.46 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 115.552 -0.749 . . . . 73.219999999999999 111.474 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.501 ' HZ3' HD21 ' B' ' 11' ' ' LEU . 5.9 tmtt? -62.26 -50.9 69.85 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 123.995 0.918 . . . . 73.430000000000007 109.109 174.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.11 -43.33 95.7 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.15 0.98 . . . . 64.450000000000003 112.052 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.31 -35.79 90.78 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 115.871 -0.604 . . . . 61.520000000000003 114.308 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.44 -32.3 71.17 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.371 0.669 . . . . 55.420000000000002 112.222 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.501 HD21 ' HZ3' ' B' ' 7' ' ' LYS . 89.8 mt -76.6 -28.21 56.08 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.153 0.581 . . . . 75.439999999999998 111.584 175.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.89 -55.7 29.47 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.054 1.131 . . . . 74.230000000000004 114.054 -174.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.4 -50.75 63.72 Favored Glycine 0 CA--C 1.537 1.449 0 N-CA-C 114.541 0.576 . . . . 71.040000000000006 114.541 -176.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -65.03 -36.95 86.0 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.679 0.792 . . . . 63.340000000000003 112.997 -178.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.9 -44.74 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 C-N-CA 122.805 0.442 . . . . 74.400000000000006 110.471 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -54.7 -45.27 73.98 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.743 0.817 . . . . 75.129999999999995 111.094 175.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.02 -25.93 66.53 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.921 0.888 . . . . 74.239999999999995 112.291 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.63 -40.21 76.67 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.791 0.436 . . . . 63.310000000000002 111.282 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.449 HD21 HG13 ' B' ' 66' ' ' VAL . 9.0 mp -79.37 -17.99 53.32 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.417 0.687 . . . . 52.130000000000003 112.121 176.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -67.28 127.09 31.34 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.725 0.41 . . . . 54.509999999999998 110.661 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.0 -18.33 46.53 Favored Glycine 0 CA--C 1.538 1.473 0 CA-C-N 116.174 -0.466 . . . . 75.439999999999998 112.672 -173.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 24.4 p -112.63 170.96 7.82 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.589 0.756 . . . . 71.209999999999994 110.249 174.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -107.29 21.4 17.57 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 122.864 0.466 . . . . 75.439999999999998 110.708 174.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.8 142.34 3.7 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 114.072 177.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 94.4 mt -137.74 160.8 38.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.443 1.097 . . . . 71.239999999999995 110.15 174.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.446 ' H ' ' NE2' ' B' ' 29' ' ' GLN . 70.6 p -102.6 162.86 12.58 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.267 0.627 . . . . 64.109999999999999 110.509 173.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -59.77 -30.71 69.07 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 113.611 0.967 . . . . 72.319999999999993 113.611 -170.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -66.23 -41.49 89.98 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.061 0.944 . . . . 64.0 111.851 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.446 ' NE2' ' H ' ' B' ' 26' ' ' THR . 49.3 mt-30 -67.8 -41.66 82.8 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.493 0.717 . . . . 53.229999999999997 111.18 178.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 23.7 mt -72.88 -33.84 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 115.556 -0.747 . . . . 64.239999999999995 111.072 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -56.56 -47.34 79.68 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.406 1.083 . . . . 75.209999999999994 111.038 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -70.8 -38.84 73.34 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.559 0.744 . . . . 64.329999999999998 112.665 175.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.66 -51.46 62.46 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.243 0.617 . . . . 71.0 112.365 -176.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 70.7 p -87.08 -16.84 34.37 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.963 0.905 . . . . 72.129999999999995 111.997 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm 60.3 31.97 20.59 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 124.432 1.093 . . . . 74.409999999999997 113.035 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.65 152.34 31.04 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.386 0.675 . . . . 61.43 111.668 176.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -69.57 -41.43 75.84 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.042 0.537 . . . . 72.450000000000003 112.074 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.05 161.63 36.91 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.584 0.707 . . . . 43.020000000000003 112.082 -177.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -71.33 -26.05 62.66 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 115.085 -0.961 . . . . 72.409999999999997 110.797 170.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.56 ' HD2' ' HE2' ' A' ' 43' ' ' PHE . 34.2 mmtp -59.84 -45.44 92.4 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.337 1.055 . . . . 70.329999999999998 113.328 -178.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -75.87 -33.87 59.99 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.554 0.342 . . . . 61.509999999999998 110.342 177.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -54.66 -38.48 66.99 Favored 'General case' 0 CA--C 1.564 1.482 0 C-N-CA 123.693 0.797 . . . . 72.430000000000007 112.071 171.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -62.42 -34.69 77.25 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 122.844 0.457 . . . . 64.140000000000001 112.11 177.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.43 -36.04 71.14 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.383 0.673 . . . . 70.409999999999997 110.619 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . 0.445 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -66.22 -55.62 17.83 Favored Glycine 0 CA--C 1.538 1.515 0 CA-C-N 116.194 -0.457 . . . . 74.430000000000007 113.305 178.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.24 -28.66 68.9 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.319 0.647 . . . . 73.219999999999999 110.416 178.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.99 -37.8 94.7 Favored Glycine 0 C--N 1.347 1.184 0 CA-C-N 115.665 -0.698 . . . . 70.099999999999994 111.705 176.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' TRP . . . . . 0.54 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 33.1 t-105 -69.35 -29.49 67.31 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 122.777 0.431 . . . . 63.25 110.761 175.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.465 HD23 HG11 ' B' ' 55' ' ' VAL . 5.3 mp -64.41 -33.22 75.37 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 122.999 0.519 . . . . 71.420000000000002 111.492 171.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.0 mt -69.5 -35.47 75.56 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.56 0.744 . . . . 75.310000000000002 112.281 175.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' B' ' 48' ' ' TRP . 1.6 ppt_? -71.73 -29.35 64.44 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 118.172 0.442 . . . . 74.239999999999995 110.662 177.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -81.69 -12.3 58.7 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.94 0.896 . . . . 61.219999999999999 111.882 175.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 64.18 18.74 11.44 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 125.127 1.371 . . . . 73.409999999999997 112.249 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -86.38 -2.22 58.23 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.838 0.681 . . . . 72.040000000000006 112.838 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.604 ' HA ' ' H ' ' B' ' 69' ' ' VAL . 33.3 m -138.67 167.03 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 CA-C-O 121.908 0.861 . . . . 51.25 112.427 176.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 p -144.95 143.69 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 CA-C-N 114.132 -1.394 . . . . 55.299999999999997 109.137 171.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 73.7 p -109.27 149.47 29.39 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.394 0.677 . . . . 53.219999999999999 111.488 -170.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 66.7 m -146.84 170.53 16.85 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.495 1.118 . . . . 53.039999999999999 110.161 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -117.36 107.04 13.88 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.436 -0.579 . . . . 75.400000000000006 109.436 172.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 42.1 t -115.74 116.33 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 123.593 0.757 . . . . 75.200000000000003 109.571 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 58.51 31.46 21.03 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.614 1.166 . . . . 72.219999999999999 112.804 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.05 8.9 87.23 Favored Glycine 0 CA--C 1.542 1.765 0 N-CA-C 114.562 0.585 . . . . 62.329999999999998 114.562 -176.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -103.23 144.08 31.8 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.07 0.948 . . . . 73.049999999999997 111.702 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 54.3 mt -72.1 101.14 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-O 121.12 0.486 . . . . 72.519999999999996 109.715 170.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -103.26 101.68 11.62 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 123.941 0.896 . . . . 64.25 110.315 -174.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.449 HG13 HD21 ' B' ' 19' ' ' LEU . 7.4 p -106.17 138.81 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 123.721 0.808 . . . . 63.530000000000001 110.088 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.541 ' HG3' HD22 ' B' ' 70' ' ' LEU . 0.0 OUTLIER -145.09 149.46 35.1 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 112.236 0.458 . . . . 75.310000000000002 112.236 -173.629 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.439 HD23 HG12 ' B' ' 55' ' ' VAL . 42.7 mt -71.06 78.08 0.67 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.557 0.743 . . . . 72.150000000000006 112.251 -175.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.604 ' H ' ' HA ' ' B' ' 55' ' ' VAL . 13.6 p 28.84 62.09 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 C-N-CA 126.442 1.897 . . . . 65.25 113.223 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.541 HD22 ' HG3' ' B' ' 67' ' ' LYS . 1.5 pt? -66.1 122.75 18.13 Favored 'General case' 0 CA--C 1.557 1.25 0 CA-C-N 114.392 -1.276 . . . . 70.099999999999994 113.321 -163.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -73.56 -10.99 60.28 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 115.636 -0.711 . . . . 75.209999999999994 110.574 164.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -66.2 106.39 1.65 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.737 1.215 . . . . 72.439999999999998 109.939 172.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -71.43 85.02 0.82 Allowed 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.516 0.674 . . . . 71.430000000000007 111.47 -175.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -79.52 -16.75 55.45 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 124.525 1.13 . . . . 70.299999999999997 111.235 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -70.86 95.15 1.12 Allowed 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 124.2 1.0 . . . . 71.5 110.244 174.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -119.85 145.09 46.97 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.912 0.885 . . . . 61.109999999999999 110.945 176.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 22.9 t60 . . . . . 0 N--CA 1.483 1.199 0 CA-C-O 121.824 0.821 . . . . 62.329999999999998 109.317 178.401 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.363 -0.606 . . . . 74.299999999999997 109.363 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -80.55 81.8 6.72 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 122.33 1.062 . . . . 74.140000000000001 111.034 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.55 141.32 35.22 Favored 'General case' 0 CA--C 1.561 1.401 0 C-N-CA 123.499 0.72 . . . . 73.109999999999999 110.089 -176.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.401 HD22 ' HD2' ' A' ' 7' ' ' LYS . 2.1 tm? -61.78 -33.66 74.5 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 123.652 0.781 . . . . 62.340000000000003 109.967 178.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -67.71 -36.76 81.2 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.548 0.739 . . . . 74.239999999999995 111.416 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -68.49 -42.5 78.54 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.763 0.653 . . . . 72.420000000000002 112.763 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -66.99 -41.83 86.07 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 117.58 0.173 . . . . 72.200000000000003 111.347 177.794 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.78 87.01 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.34 0.656 . . . . 75.030000000000001 111.181 177.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.44 -38.09 79.65 Favored Glycine 0 CA--C 1.536 1.395 0 CA-C-N 115.081 -0.963 . . . . 74.230000000000004 113.795 175.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.37 -51.4 60.69 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.619 0.768 . . . . 34.439999999999998 111.713 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 67.2 mt -61.01 -32.94 72.52 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.984 0.914 . . . . 63.210000000000001 111.216 178.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -60.29 -40.72 91.47 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.778 0.831 . . . . 52.210000000000001 113.152 177.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.83 -49.85 74.08 Favored Glycine 0 CA--C 1.535 1.334 0 CA-C-N 115.944 -0.571 . . . . 71.230000000000004 114.339 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -68.6 -36.79 79.17 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.153 0.581 . . . . 72.420000000000002 112.11 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.565 HG23 HG21 ' A' ' 30' ' ' ILE . 74.9 mt -64.65 -44.86 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 C-N-CA 123.077 0.551 . . . . 42.409999999999997 111.391 178.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -61.53 -45.91 92.21 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.017 0.527 . . . . 75.400000000000006 111.465 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -65.15 -39.46 93.02 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 123.808 0.843 . . . . 64.219999999999999 110.795 -176.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.33 -33.32 75.69 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.384 0.674 . . . . 73.420000000000002 111.974 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.0 mt -85.67 -15.37 42.56 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.887 0.875 . . . . 70.010000000000005 112.281 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -66.76 119.22 11.45 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 122.738 0.415 . . . . 55.240000000000002 111.554 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.45 12.29 83.94 Favored Glycine 0 CA--C 1.54 1.635 0 CA-C-N 115.827 -0.624 . . . . 70.129999999999995 113.864 -173.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.605 HG22 ' H ' ' A' ' 24' ' ' GLY . 15.1 m -106.33 147.11 29.58 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.583 0.753 . . . . 54.539999999999999 110.459 178.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.24 -33.38 70.95 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 123.6 0.76 . . . . 73.409999999999997 111.997 174.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.605 ' H ' HG22 ' A' ' 22' ' ' THR . . . 140.97 141.98 4.07 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-N 115.276 -0.875 . . . . 63.240000000000002 110.928 -174.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 95.2 mt -129.04 151.64 49.51 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 117.704 0.752 . . . . 73.120000000000005 110.434 -178.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.0 p -74.2 164.15 26.97 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 110.3 -0.259 . . . . 70.219999999999999 110.3 173.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.482 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 20.3 pt20 -54.07 -33.49 57.66 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.206 0.603 . . . . 73.010000000000005 112.349 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 53.6 mtpt -69.04 -47.23 65.91 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.001 0.921 . . . . 71.25 112.204 174.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.463 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 86.6 mm-40 -65.04 -41.39 95.25 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.662 0.785 . . . . 64.319999999999993 112.83 -176.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.565 HG21 HG23 ' A' ' 15' ' ' ILE . 70.2 mt -60.82 -47.18 94.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.252 0.621 . . . . 64.340000000000003 111.453 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 27' ' ' GLN . 32.5 mtmm -62.35 -26.55 68.51 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 112.998 0.74 . . . . 73.349999999999994 112.998 -176.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -69.79 -50.48 42.62 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-O 120.481 0.181 . . . . 71.239999999999995 110.53 173.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.43 -33.12 75.21 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.47 0.708 . . . . 62.140000000000001 112.708 -177.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.4 p -88.74 -18.71 27.23 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.266 1.026 . . . . 73.010000000000005 112.168 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm 69.16 35.89 2.57 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 125.184 1.394 . . . . 74.030000000000001 111.448 -177.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt -71.95 160.59 32.26 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.387 0.675 . . . . 71.420000000000002 111.687 171.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -89.34 -52.6 4.96 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.418 0.687 . . . . 73.040000000000006 111.972 -176.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.88 163.54 32.37 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.438 0.695 . . . . 54.340000000000003 111.393 -170.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -64.08 -27.31 69.01 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 116.077 -0.51 . . . . 72.150000000000006 111.419 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -53.66 -50.79 65.02 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.428 1.091 . . . . 70.329999999999998 113.138 177.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -74.45 -29.98 61.7 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.778 0.431 . . . . 63.32 111.092 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -59.53 -39.2 83.12 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.895 0.478 . . . . 74.219999999999999 111.956 172.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -63.37 -31.83 73.1 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 123.123 0.569 . . . . 71.329999999999998 112.021 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -74.16 -40.9 62.26 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.248 0.619 . . . . 74.329999999999998 111.339 174.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.426 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -65.36 -58.38 9.6 Favored Glycine 0 C--N 1.352 1.419 0 O-C-N 123.14 0.275 . . . . 64.120000000000005 113.202 176.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.0 tp -57.9 -35.59 71.25 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.121 0.968 . . . . 65.420000000000002 112.155 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.38 -31.73 81.84 Favored Glycine 0 N--CA 1.477 1.407 0 CA-C-O 121.362 0.423 . . . . 73.510000000000005 112.298 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.488 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 39.0 t-105 -71.9 -40.28 68.98 Favored 'General case' 0 CA--C 1.558 1.267 0 CA-C-N 115.204 -0.498 . . . . 64.219999999999999 110.242 171.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.69 HD23 HG11 ' A' ' 55' ' ' VAL . 6.4 mp -58.03 -31.0 66.58 Favored 'General case' 0 N--CA 1.499 1.985 0 C-N-CA 123.33 0.652 . . . . 71.310000000000002 111.978 174.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.0 mt -67.59 -44.95 76.92 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.231 0.612 . . . . 74.329999999999998 111.324 174.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HG3' ' HA ' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -73.66 -18.54 61.01 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 111.914 0.338 . . . . 61.240000000000002 111.914 177.144 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -83.71 -17.98 39.48 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.851 0.86 . . . . 72.310000000000002 111.201 174.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 63.72 17.73 10.65 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 125.022 1.329 . . . . 72.140000000000001 112.672 176.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -99.53 9.41 43.26 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.671 0.788 . . . . 62.25 112.37 -173.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.69 HG11 HD23 ' A' ' 49' ' ' LEU . 29.4 m -134.74 161.7 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 N-CA-C 113.409 0.892 . . . . 72.219999999999999 113.409 174.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.1 p -143.13 132.75 21.34 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 CA-C-N 114.153 -1.385 . . . . 73.450000000000003 109.508 167.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 60.1 p -110.06 131.19 55.28 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 121.06 0.457 . . . . 73.540000000000006 111.251 -169.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.532 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 14.9 m -85.9 143.97 27.92 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.23 1.012 . . . . 71.230000000000004 109.723 173.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -96.55 103.05 14.93 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 109.237 -0.653 . . . . 64.239999999999995 109.237 174.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.6 t -109.64 105.01 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 116.006 -0.543 . . . . 64.450000000000003 109.571 178.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 42.4 45.52 3.79 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 125.41 1.484 . . . . 74.519999999999996 114.51 177.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.3 8.39 83.6 Favored Glycine 0 CA--C 1.542 1.741 0 N-CA-C 115.065 0.786 . . . . 45.299999999999997 115.065 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -113.68 145.22 41.66 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.312 1.045 . . . . 71.120000000000005 111.138 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.3 mt -82.3 124.42 39.22 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 123.54 0.736 . . . . 73.439999999999998 109.986 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.532 ' HB3' ' HB2' ' A' ' 58' ' ' SER . 73.6 t80 -119.22 103.36 9.44 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.031 0.932 . . . . 75.329999999999998 108.953 176.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.1 t -94.33 131.61 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 O-C-N 121.571 -0.706 . . . . 60.219999999999999 111.496 -168.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -123.98 148.51 46.89 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.512 0.725 . . . . 74.310000000000002 109.068 175.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.446 HD23 HG12 ' A' ' 55' ' ' VAL . 38.8 mt -85.0 141.02 30.61 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 118.096 0.407 . . . . 60.109999999999999 111.304 175.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.8 t -64.7 120.57 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 C-N-CA 123.155 0.582 . . . . 75.209999999999994 109.451 167.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 78.4 mt -69.7 90.18 0.57 Allowed 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 121.106 0.479 . . . . 74.129999999999995 112.076 -173.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -77.22 -51.73 10.44 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.873 0.869 . . . . 63.539999999999999 109.979 173.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -135.73 179.77 6.14 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.09 0.956 . . . . 60.109999999999999 110.449 177.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -126.63 160.14 31.58 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.346 0.659 . . . . 71.439999999999998 111.895 -175.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -131.08 145.93 52.18 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.871 0.868 . . . . 61.219999999999999 110.874 -178.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -84.34 -16.23 43.66 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.076 0.55 . . . . 62.299999999999997 111.062 168.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -123.44 -156.57 0.71 Allowed 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 124.53 1.132 . . . . 65.239999999999995 109.333 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 121.666 0.745 . . . . 73.239999999999995 110.721 177.598 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.4 mtt . . . . . 0 CA--C 1.549 0.922 0 CA-C-O 120.823 0.345 . . . . 72.200000000000003 111.181 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -138.31 88.35 2.3 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.799 0.84 . . . . 74.140000000000001 110.35 -179.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.478 ' HG3' ' H ' ' B' ' 5' ' ' LYS . 11.5 tpt -162.84 151.48 14.52 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-O 121.249 0.547 . . . . 63.109999999999999 112.069 -172.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 mp -56.89 -43.06 80.94 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.768 0.827 . . . . 70.420000000000002 110.938 172.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.514 ' HZ3' ' HH2' ' B' ' 48' ' ' TRP . 24.5 ttmm -56.47 -44.84 80.98 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.123 0.969 . . . . 74.150000000000006 112.138 171.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -57.86 -55.91 28.81 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.036 0.934 . . . . 73.409999999999997 111.886 -175.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -34.19 77.65 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.087 -0.506 . . . . 71.140000000000001 111.828 177.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.08 92.41 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 123.908 0.883 . . . . 61.109999999999999 112.472 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.54 -39.58 90.96 Favored Glycine 0 CA--C 1.534 1.268 0 CA-C-N 116.06 -0.518 . . . . 34.25 113.567 177.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.1 75.17 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.341 0.657 . . . . 34.020000000000003 111.769 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.48 ' HA ' HE21 ' B' ' 14' ' ' GLN . 69.7 mt -74.85 -31.85 61.74 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.786 0.835 . . . . 63.450000000000003 111.753 175.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.44 -53.46 50.96 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.768 0.827 . . . . 53.210000000000001 113.018 -177.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.83 -31.49 76.05 Favored Glycine 0 CA--C 1.54 1.618 0 CA-C-N 115.752 -0.658 . . . . 64.5 114.309 176.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.48 HE21 ' HA ' ' B' ' 11' ' ' LEU . 42.2 mt-30 -74.14 -49.62 22.95 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.441 0.697 . . . . 75.510000000000005 112.018 -178.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.13 -38.01 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 C-N-CA 123.368 0.667 . . . . 75.129999999999995 110.264 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -58.65 -48.3 81.52 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.91 0.884 . . . . 75.040000000000006 110.653 173.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.77 -39.2 87.91 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.224 1.01 . . . . 72.019999999999996 111.786 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.89 -33.39 75.6 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.302 0.641 . . . . 71.329999999999998 111.809 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 90.6 mt -86.5 -20.16 28.47 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.802 0.841 . . . . 62.310000000000002 112.473 177.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -68.19 119.62 13.05 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.637 0.375 . . . . 52.210000000000001 110.83 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.99 7.37 70.56 Favored Glycine 0 CA--C 1.538 1.494 0 N-CA-C 114.617 0.607 . . . . 72.209999999999994 114.617 -177.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 53.8 p -117.33 165.2 13.76 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.412 0.685 . . . . 72.430000000000007 110.815 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -84.59 -10.28 57.53 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.398 0.679 . . . . 73.540000000000006 110.572 173.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.02 145.6 4.7 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 115.936 -0.575 . . . . 54.210000000000001 112.281 -176.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 90.7 mt -133.34 159.4 40.38 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.456 0.702 . . . . 73.340000000000003 110.735 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 42.5 p -84.83 161.6 19.87 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.253 0.621 . . . . 75.230000000000004 110.809 174.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -54.13 -37.79 64.74 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.556 0.742 . . . . 64.329999999999998 112.789 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -60.32 -52.61 64.54 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.742 0.817 . . . . 72.530000000000001 112.294 174.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -70.73 -31.93 68.94 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 112.854 0.686 . . . . 74.549999999999997 112.854 -172.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.73 -41.84 93.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.137 0.575 . . . . 72.019999999999996 111.286 176.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -59.63 -31.41 69.48 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 112.434 0.531 . . . . 62.329999999999998 112.434 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.55 -52.02 55.53 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 109.434 -0.58 . . . . 74.510000000000005 109.434 176.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.02 -29.34 66.37 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.991 0.737 . . . . 71.209999999999994 112.991 -175.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 69.9 p -83.45 -17.86 40.63 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.637 0.775 . . . . 52.200000000000003 112.795 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? 72.89 39.33 0.66 Allowed 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 124.758 1.223 . . . . 74.219999999999999 109.011 -174.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 93.9 mt -103.44 -177.97 3.53 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.492 1.117 . . . . 71.209999999999994 110.784 167.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -148.92 -28.02 0.29 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.674 0.79 . . . . 73.219999999999999 111.304 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.26 130.87 45.58 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.706 0.802 . . . . 74.140000000000001 111.191 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.18 -22.99 65.25 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.794 0.837 . . . . 54.409999999999997 111.68 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -50.67 -54.52 22.34 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.914 1.285 . . . . 73.25 113.071 174.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.38 -33.06 73.58 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.532 0.733 . . . . 73.430000000000007 110.744 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -62.34 -41.74 98.82 Favored 'General case' 0 CA--C 1.562 1.409 0 CA-C-N 115.431 -0.804 . . . . 71.219999999999999 112.07 175.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -65.31 -40.44 93.77 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 122.722 0.409 . . . . 74.030000000000001 111.814 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -74.09 -28.71 61.5 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 122.97 0.508 . . . . 71.010000000000005 111.697 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . 0.496 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -72.63 -63.43 2.89 Favored Glycine 0 C--N 1.353 1.514 0 N-CA-C 112.771 -0.132 . . . . 54.039999999999999 112.771 173.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 50.2 tp -53.02 -43.6 66.68 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.94 1.296 . . . . 71.200000000000003 113.044 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.99 -30.97 79.43 Favored Glycine 0 N--CA 1.476 1.343 0 CA-C-N 115.87 -0.605 . . . . 64.329999999999998 113.101 -176.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' TRP . . . . . 0.514 ' HH2' ' HZ3' ' B' ' 5' ' ' LYS . 32.1 t-105 -69.12 -33.66 73.82 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 123.563 0.745 . . . . 73.329999999999998 111.08 175.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.496 HD13 ' O ' ' B' ' 45' ' ' GLY . 3.7 mp -68.25 -29.06 67.78 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.706 0.803 . . . . 73.239999999999995 111.536 177.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.589 HD21 HG23 ' B' ' 57' ' ' THR . 96.6 mt -65.09 -34.95 79.64 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.721 0.809 . . . . 54.020000000000003 111.999 175.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' B' ' 48' ' ' TRP . 7.2 ptt180 -65.85 -34.53 78.36 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.191 0.52 . . . . 64.209999999999994 111.582 179.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -92.87 -8.3 43.81 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.738 0.815 . . . . 74.549999999999997 111.688 178.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 62.23 31.45 17.56 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 124.491 1.117 . . . . 75.530000000000001 112.344 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.437 ' HE3' ' HG ' ' B' ' 49' ' ' LEU . 48.0 mtmt -79.91 -16.89 54.39 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.602 0.761 . . . . 63.130000000000003 111.294 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.517 HG12 HD23 ' B' ' 68' ' ' LEU . 33.7 m -134.74 164.11 34.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 123.761 0.824 . . . . 74.209999999999994 111.298 179.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.2 p -133.32 133.87 57.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-N 115.004 -0.998 . . . . 63.299999999999997 109.549 173.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . 0.658 ' HA ' HG12 ' B' ' 66' ' ' VAL . 60.9 p -104.4 143.79 32.52 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.94 0.896 . . . . 72.420000000000002 111.474 -169.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 34.3 t -146.35 166.6 25.83 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.523 0.729 . . . . 64.439999999999998 110.693 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -112.99 104.97 12.93 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.912 0.885 . . . . 64.439999999999998 109.887 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 48.5 t -121.54 122.44 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 123.543 0.737 . . . . 75.040000000000006 111.202 -176.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 51.64 37.12 19.1 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.336 1.454 . . . . 71.420000000000002 113.867 172.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.61 -3.88 68.73 Favored Glycine 0 CA--C 1.536 1.392 0 N-CA-C 115.34 0.896 . . . . 44.140000000000001 115.34 174.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -138.68 174.35 10.62 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.38 1.09 . . . . 70.530000000000001 112.38 177.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 55.0 mt -79.56 122.42 34.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 C-N-CA 123.602 0.761 . . . . 74.549999999999997 111.346 -173.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -121.25 118.97 30.93 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.339 1.056 . . . . 62.409999999999997 109.008 177.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.658 HG12 ' HA ' ' B' ' 57' ' ' THR . 32.6 m -130.84 160.93 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.739 0.816 . . . . 75.519999999999996 111.424 -170.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.63 162.93 40.52 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 122.737 0.415 . . . . 42.399999999999999 110.821 177.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.517 HD23 HG12 ' B' ' 55' ' ' VAL . 63.5 mt -69.22 135.73 50.98 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.744 0.418 . . . . 61.149999999999999 111.414 178.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 98.9 t -74.8 83.02 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 N-CA-C 109.825 -0.435 . . . . 72.209999999999994 109.825 171.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 92.5 mt -65.2 -16.93 64.05 Favored 'General case' 0 CA--C 1.559 1.293 0 O-C-N 121.985 -0.447 . . . . 64.219999999999999 111.271 176.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.32 -23.71 57.38 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 125.198 1.399 . . . . 64.430000000000007 113.446 175.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -62.15 -17.39 57.79 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 112.573 0.583 . . . . 71.209999999999994 112.573 175.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -122.22 65.99 0.93 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.831 0.852 . . . . 72.219999999999999 109.255 166.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -63.71 96.15 0.12 Allowed 'General case' 0 CA--C 1.557 1.236 0 CA-C-N 115.782 -0.645 . . . . 73.209999999999994 110.399 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -85.2 105.75 16.12 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.987 0.915 . . . . 74.209999999999994 110.869 -174.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -96.12 129.56 43.38 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.365 0.666 . . . . 74.129999999999995 110.276 177.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 N--CA 1.482 1.148 0 C-N-CA 123.776 0.83 . . . . 70.140000000000001 111.848 -179.556 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.8 mtp . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 120.431 0.157 . . . . 61.240000000000002 111.14 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -116.64 -16.65 10.7 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.13 0.572 . . . . 75.409999999999997 111.471 175.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 85.2 mtp -73.18 172.22 11.52 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.652 0.781 . . . . 75.25 112.782 -175.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.42 -13.83 33.93 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 113.075 0.769 . . . . 72.420000000000002 113.075 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -60.99 -41.33 96.26 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.625 0.77 . . . . 74.030000000000001 111.308 168.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -68.21 -38.38 81.88 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 124.166 0.987 . . . . 73.040000000000006 111.599 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.487 ' HZ3' HD21 ' A' ' 11' ' ' LEU . 10.4 tmtt? -66.3 -50.45 63.61 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.668 0.787 . . . . 54.399999999999999 109.823 178.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.37 -34.03 74.63 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.853 0.861 . . . . 64.219999999999999 111.952 175.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.29 -32.57 76.16 Favored Glycine 0 CA--C 1.543 1.831 0 CA-C-N 116.067 -0.515 . . . . 61.229999999999997 114.36 174.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.37 -38.93 71.53 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.226 0.61 . . . . 65.200000000000003 111.136 174.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.487 HD21 ' HZ3' ' A' ' 7' ' ' LYS . 74.3 mt -64.29 -36.28 83.59 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.235 -0.893 . . . . 75.409999999999997 110.942 172.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -63.57 -46.6 85.16 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.454 0.701 . . . . 73.409999999999997 112.504 177.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.41 -48.22 87.05 Favored Glycine 0 CA--C 1.535 1.31 0 O-C-N 123.91 0.756 . . . . 32.420000000000002 114.102 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -67.16 -35.72 80.3 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 123.325 0.65 . . . . 64.420000000000002 112.438 -179.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.0 mt -72.74 -42.1 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.322 0.649 . . . . 74.120000000000005 111.158 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 71.6 t90 -64.62 -49.34 71.46 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.269 0.628 . . . . 73.010000000000005 110.42 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -68.53 -23.07 64.49 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.522 0.729 . . . . 75.230000000000004 112.577 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.03 -34.89 79.04 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.989 -0.444 . . . . 62.130000000000003 111.534 171.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.611 HD11 HG12 ' A' ' 30' ' ' ILE . 8.4 mp -102.34 -9.65 20.16 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 114.088 1.144 . . . . 73.239999999999995 114.088 -177.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -65.37 127.16 30.65 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 119.745 1.157 . . . . 75.329999999999998 111.599 -176.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.42 20.2 57.17 Favored Glycine 0 CA--C 1.543 1.794 0 CA-C-N 116.094 -0.503 . . . . 63.399999999999999 113.978 -173.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.2 p -131.07 174.61 9.85 Favored 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 123.411 0.684 . . . . 74.540000000000006 110.605 176.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -13.08 50.07 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.756 0.822 . . . . 54.020000000000003 112.606 176.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.61 142.81 5.73 Favored Glycine 0 C--N 1.352 1.449 0 N-CA-C 113.642 0.217 . . . . 55.229999999999997 113.642 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.479 HD23 ' HG ' ' A' ' 19' ' ' LEU . 3.3 mm? -126.66 167.25 15.96 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 124.068 0.947 . . . . 65.230000000000004 111.191 -178.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.6 p -91.93 169.64 10.51 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.033 0.533 . . . . 63.119999999999997 110.84 174.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -55.33 -33.02 62.99 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.367 0.667 . . . . 63.409999999999997 111.972 177.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -56.29 -52.08 65.84 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.61 0.764 . . . . 64.530000000000001 112.422 175.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.461 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 1.8 mp0 -67.74 -39.05 84.25 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.948 0.499 . . . . 73.310000000000002 111.414 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.611 HG12 HD11 ' A' ' 19' ' ' LEU . 64.1 mt -64.77 -44.85 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.011 0.525 . . . . 53.530000000000001 110.803 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -66.94 -32.59 73.94 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.024 0.93 . . . . 75.439999999999998 111.624 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -68.85 -46.62 68.02 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.204 0.602 . . . . 75.010000000000005 110.08 176.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.68 -50.1 59.44 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.441 0.696 . . . . 60.009999999999998 111.938 -177.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 79.5 p -73.37 -24.6 60.34 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.217 1.007 . . . . 75.239999999999995 111.891 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt 66.51 29.0 9.28 Favored 'General case' 0 CA--C 1.57 1.733 0 C-N-CA 124.908 1.283 . . . . 71.200000000000003 110.833 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 pp -76.67 162.14 27.96 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.914 -0.491 . . . . 62.329999999999998 111.737 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -103.8 -58.19 1.92 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.1 0.56 . . . . 72.129999999999995 111.621 -175.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.79 147.69 22.8 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 121.221 0.534 . . . . 70.040000000000006 112.263 -171.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -59.83 -33.06 71.27 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.643 -0.708 . . . . 64.430000000000007 110.489 168.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -55.88 -53.16 60.21 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.231 1.412 . . . . 64.409999999999997 113.831 -175.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -73.3 -27.52 61.59 Favored 'General case' 0 N--CA 1.483 1.225 0 CA-C-O 120.713 0.292 . . . . 72.019999999999996 110.718 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -59.02 -41.25 87.33 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 123.013 0.525 . . . . 73.209999999999994 111.241 170.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.62 -32.52 73.28 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 112.549 0.574 . . . . 74.420000000000002 112.549 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mp -71.77 -31.49 66.69 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 122.503 0.321 . . . . 71.030000000000001 111.29 174.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.437 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -75.06 -62.3 2.81 Favored Glycine 0 C--N 1.353 1.483 0 CA-C-N 116.619 -0.264 . . . . 44.329999999999998 113.246 175.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.568 HD11 HG21 ' A' ' 66' ' ' VAL . 58.5 tp -59.6 -33.55 71.61 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.271 1.029 . . . . 63.350000000000001 112.168 177.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.21 -31.23 74.3 Favored Glycine 0 N--CA 1.472 1.079 0 CA-C-N 115.821 -0.627 . . . . 62.32 112.322 176.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.597 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 29.1 t-105 -70.34 -33.61 71.68 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 122.613 0.365 . . . . 63.119999999999997 110.318 172.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 45' ' ' GLY . 6.8 mp -65.51 -33.02 74.96 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.088 0.555 . . . . 74.329999999999998 111.528 173.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.3 mt -68.49 -43.21 77.36 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.534 0.733 . . . . 73.209999999999994 111.372 173.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.939 ' HB2' ' HB3' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -73.52 -18.43 61.09 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 120.857 0.36 . . . . 70.530000000000001 111.886 179.033 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.505 ' HB3' ' NZ ' ' A' ' 54' ' ' LYS . 45.2 mm-40 -93.0 -6.31 48.66 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.987 0.915 . . . . 61.130000000000003 112.144 173.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 63.35 13.44 7.05 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 125.001 1.32 . . . . 65.099999999999994 112.923 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.505 ' NZ ' ' HB3' ' A' ' 52' ' ' GLU . 28.1 mtmm -95.16 16.68 15.87 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.585 0.754 . . . . 75.530000000000001 112.855 -174.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.421 HG12 HD23 ' A' ' 68' ' ' LEU . 17.4 m -138.13 153.84 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 113.786 1.032 . . . . 74.219999999999999 113.786 170.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.7 t -113.17 124.67 70.04 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-N 114.11 -1.405 . . . . 62.509999999999998 108.638 163.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.5 p -103.2 150.62 23.52 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.19 0.596 . . . . 63.140000000000001 111.774 -175.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.8 t -158.29 172.78 17.75 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.573 1.149 . . . . 43.43 110.325 -175.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -121.97 123.31 41.37 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.979 0.512 . . . . 72.0 110.995 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.3 t -114.92 114.11 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 123.907 0.883 . . . . 74.239999999999995 110.174 171.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 58.45 35.69 24.88 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 124.484 1.114 . . . . 64.510000000000005 112.934 173.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.91 9.9 86.22 Favored Glycine 0 N--CA 1.481 1.648 0 N-CA-C 114.152 0.421 . . . . 62.399999999999999 114.152 -177.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -114.02 144.78 42.55 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.963 0.905 . . . . 72.129999999999995 110.373 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.7 mt -70.93 106.24 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 122.883 0.473 . . . . 72.530000000000001 110.763 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -100.88 137.68 38.94 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.083 0.953 . . . . 73.209999999999994 109.49 174.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.568 HG21 HD11 ' A' ' 46' ' ' LEU . 9.5 p -140.81 152.3 20.58 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 O-C-N 122.081 -0.387 . . . . 75.129999999999995 111.459 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.44 146.9 48.69 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.403 0.681 . . . . 53.329999999999998 109.894 176.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.421 HD23 HG12 ' A' ' 55' ' ' VAL . 45.0 mt -82.82 136.48 34.63 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 112.446 0.535 . . . . 74.219999999999999 112.446 -177.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.9 t -70.34 107.88 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 N-CA-C 107.645 -1.243 . . . . 72.420000000000002 107.645 157.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.55 HD23 ' H ' ' A' ' 70' ' ' LEU . 1.8 pt? -57.81 99.13 0.04 OUTLIER 'General case' 0 CA--C 1.561 1.371 0 CA-C-O 122.01 0.909 . . . . 65.25 112.359 -172.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -85.28 157.06 20.68 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.361 1.064 . . . . 75.109999999999999 110.038 175.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.2 m170 -68.44 159.04 32.41 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 122.759 0.424 . . . . 75.0 111.164 172.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -64.38 -24.21 67.56 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.073 0.549 . . . . 74.319999999999993 111.343 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -96.78 90.3 5.22 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 109.059 -0.719 . . . . 72.310000000000002 109.059 165.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -69.68 173.98 5.58 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.84 0.856 . . . . 74.299999999999997 112.423 178.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -87.96 155.47 19.82 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.196 0.598 . . . . 73.129999999999995 110.386 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 . . . . . 0 N--CA 1.488 1.459 0 CA-C-O 121.227 0.536 . . . . 71.319999999999993 110.846 -178.041 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mmm . . . . . 0 CA--C 1.549 0.94 0 CA-C-O 121.033 0.444 . . . . 63.439999999999998 111.251 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -77.82 -29.66 50.73 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.964 0.906 . . . . 74.129999999999995 112.353 -175.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 95.7 mmm -57.49 141.71 46.7 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.547 0.944 . . . . 63.219999999999999 113.547 -175.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.26 -17.11 64.23 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.717 0.807 . . . . 73.519999999999996 111.868 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -68.59 -43.54 76.27 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.833 0.853 . . . . 74.109999999999999 111.181 171.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -69.27 -33.32 73.04 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 115.838 -0.619 . . . . 75.299999999999997 110.876 177.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -63.61 -44.19 94.69 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 124.364 1.066 . . . . 62.530000000000001 110.303 172.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.07 -36.09 78.68 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 123.61 0.764 . . . . 53.530000000000001 111.846 173.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.71 -34.59 78.44 Favored Glycine 0 C--N 1.352 1.44 0 CA-C-N 115.883 -0.599 . . . . 74.319999999999993 113.41 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.91 -38.56 91.38 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.293 0.637 . . . . 73.010000000000005 111.007 175.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 69.4 mt -66.86 -41.26 87.62 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.253 -0.885 . . . . 73.510000000000005 111.018 174.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.06 -46.06 82.75 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.584 0.753 . . . . 72.239999999999995 112.793 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.89 -52.71 50.65 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-N 115.826 -0.624 . . . . 60.020000000000003 114.358 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -66.33 -40.54 89.95 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.178 0.591 . . . . 75.140000000000001 112.26 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.465 HD12 ' HA3' ' B' ' 45' ' ' GLY . 97.1 mt -65.17 -42.73 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 123.39 0.676 . . . . 73.200000000000003 111.081 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . 0.403 ' CD1' ' HD3' ' B' ' 54' ' ' LYS . 81.1 t90 -61.07 -39.66 90.74 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 116.554 -0.294 . . . . 74.340000000000003 111.244 175.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.44 -25.55 66.79 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 112.854 0.687 . . . . 75.239999999999995 112.854 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.33 -36.37 83.85 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 121.021 0.438 . . . . 72.319999999999993 110.66 169.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.528 HD21 HG23 ' B' ' 66' ' ' VAL . 9.2 mp -85.61 -18.52 33.06 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.952 0.901 . . . . 75.510000000000005 112.564 177.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -64.33 122.03 15.72 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.665 0.786 . . . . 75.5 111.701 -174.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.87 -28.19 17.14 Favored Glycine 0 CA--C 1.536 1.373 0 CA-C-N 116.033 -0.53 . . . . 75.150000000000006 112.886 -174.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.2 m -101.26 172.45 6.99 Favored 'General case' 0 CA--C 1.564 1.493 0 C-N-CA 124.174 0.99 . . . . 60.350000000000001 109.767 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -106.17 -1.08 24.07 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.158 0.583 . . . . 62.43 112.105 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.89 132.36 1.33 Allowed Glycine 0 C--N 1.36 1.896 0 N-CA-C 114.298 0.479 . . . . 65.030000000000001 114.298 -173.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' B' ' 19' ' ' LEU . 7.4 mp -128.17 161.1 30.07 Favored 'General case' 0 N--CA 1.5 2.029 0 C-N-CA 124.055 0.942 . . . . 73.420000000000002 110.844 176.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 27.7 p -86.12 158.93 19.67 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 116.243 -0.435 . . . . 74.340000000000003 109.884 170.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -55.8 -42.84 76.21 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.257 0.623 . . . . 72.439999999999998 111.503 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -59.2 -41.36 88.35 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.664 0.786 . . . . 64.319999999999993 112.141 177.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -65.48 -41.8 92.92 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.453 0.701 . . . . 72.140000000000001 111.517 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.6 mt -67.02 -45.9 85.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 115.41 -0.813 . . . . 64.450000000000003 110.72 -178.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.471 ' HA ' HD23 ' B' ' 36' ' ' LEU . 9.3 mtpm? -61.22 -28.22 69.0 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.89 0.876 . . . . 61.43 111.964 177.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -70.27 -47.29 61.9 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 123.078 0.551 . . . . 71.329999999999998 111.469 171.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.64 -45.9 67.41 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.416 0.686 . . . . 34.119999999999997 112.784 -175.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 10.9 p -82.37 -19.05 39.96 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.401 1.08 . . . . 75.109999999999999 112.308 178.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt 60.46 56.66 3.06 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.006 0.923 . . . . 73.519999999999996 112.06 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.53 HD12 ' HB2' ' B' ' 41' ' ' ASP . 2.4 pt? -121.74 140.67 52.03 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 115.946 -0.57 . . . . 72.040000000000006 110.685 175.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -84.98 -48.78 8.91 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.477 0.711 . . . . 64.219999999999999 110.783 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.73 118.89 13.16 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-O 121.324 0.583 . . . . 63.020000000000003 112.404 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.66 -27.05 68.4 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.025 0.93 . . . . 74.329999999999998 110.988 171.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.401 ' O ' HD13 ' B' ' 44' ' ' LEU . 72.0 mmtt -54.8 -50.71 67.86 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.904 1.281 . . . . 34.43 111.901 -177.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.53 ' HB2' HD12 ' B' ' 36' ' ' LEU . 5.8 m-20 -63.27 -30.68 71.78 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.664 0.786 . . . . 60.350000000000001 112.003 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -61.47 -45.52 93.9 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.61 0.364 . . . . 54.409999999999997 110.889 172.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -67.51 -38.35 84.16 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.056 0.542 . . . . 73.329999999999998 111.932 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.401 HD13 ' O ' ' B' ' 40' ' ' LYS . 9.4 mp -63.82 -47.34 81.2 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.704 0.802 . . . . 70.310000000000002 111.362 177.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . 0.474 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -66.39 -43.65 92.16 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-N 116.173 -0.467 . . . . 55.240000000000002 113.143 176.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.16 -31.95 73.23 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.068 0.947 . . . . 61.420000000000002 111.62 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.0 -31.38 72.39 Favored Glycine 0 N--CA 1.472 1.052 0 CA-C-N 115.721 -0.672 . . . . 51.229999999999997 112.223 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' TRP . . . . . 0.51 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 26.5 t-105 -72.03 -36.53 69.7 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.209 0.604 . . . . 64.540000000000006 110.499 173.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.561 HD23 HG11 ' B' ' 55' ' ' VAL . 5.5 mp -63.07 -30.4 71.57 Favored 'General case' 0 CA--C 1.57 1.717 0 C-N-CA 123.155 0.582 . . . . 75.219999999999999 111.452 173.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.0 mt -69.89 -36.69 75.65 Favored 'General case' 0 CA--C 1.566 1.566 0 N-CA-C 113.548 0.944 . . . . 74.219999999999999 113.548 175.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.939 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 14.4 ptm180 -70.97 -33.25 70.26 Favored 'General case' 0 N--CA 1.504 2.23 0 CA-C-N 119.09 0.859 . . . . 75.019999999999996 111.803 177.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -79.99 -18.94 48.98 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 115.612 -0.722 . . . . 72.329999999999998 110.665 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 34.6 t70 69.82 18.53 7.36 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.214 1.406 . . . . 61.43 111.122 175.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.403 ' HD3' ' CD1' ' B' ' 16' ' ' TRP . 2.5 ptpp? -79.93 -8.73 59.49 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 115.632 -0.713 . . . . 73.349999999999994 112.125 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.561 HG11 HD23 ' B' ' 49' ' ' LEU . 22.3 m -132.46 163.65 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-O 121.934 0.873 . . . . 72.340000000000003 112.303 177.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.555 HG13 HG22 ' B' ' 69' ' ' VAL . 19.9 m -129.92 142.05 44.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 114.116 -1.402 . . . . 74.040000000000006 108.995 168.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 47.1 p -101.4 139.62 36.81 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.14 0.576 . . . . 64.150000000000006 110.777 -177.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 68.8 m -147.83 171.41 15.76 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.172 0.989 . . . . 75.150000000000006 110.656 -176.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -123.13 121.7 36.64 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.742 0.817 . . . . 65.230000000000004 109.565 176.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 35.5 t -119.96 113.35 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.894 0.878 . . . . 74.530000000000001 110.04 174.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 51.3 44.98 28.57 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 125.421 1.488 . . . . 70.519999999999996 113.837 172.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.35 3.5 88.61 Favored Glycine 0 CA--C 1.539 1.561 0 CA-C-N 115.701 -0.681 . . . . 70.230000000000004 114.519 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -119.18 147.8 43.81 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.115 0.966 . . . . 75.219999999999999 110.887 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 57.8 mt -68.04 124.35 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 123.096 0.558 . . . . 74.310000000000002 109.951 174.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -128.46 114.39 16.74 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.458 0.703 . . . . 73.030000000000001 109.832 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.528 HG23 HD21 ' B' ' 19' ' ' LEU . 32.6 m -115.24 138.68 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 122.992 0.517 . . . . 61.32 111.096 -177.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -120.9 160.69 22.94 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.372 0.669 . . . . 54.299999999999997 110.967 -174.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.461 HD23 HG12 ' B' ' 55' ' ' VAL . 89.1 mt -86.24 44.47 1.14 Allowed 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 122.878 0.471 . . . . 73.540000000000006 111.754 176.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.555 HG22 HG13 ' B' ' 56' ' ' VAL . 11.5 t 55.9 34.67 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 C-N-CA 124.805 1.242 . . . . 64.140000000000001 110.375 -173.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 93.8 mt -124.75 138.5 54.28 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 115.451 -0.795 . . . . 75.310000000000002 111.518 -175.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -169.75 162.53 9.64 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.734 1.213 . . . . 74.329999999999998 109.663 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 -110.41 30.75 6.49 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 112.709 0.633 . . . . 70.439999999999998 112.709 -175.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -154.7 110.61 3.18 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.267 0.627 . . . . 74.340000000000003 111.515 174.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.82 80.46 0.88 Allowed 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 122.085 0.945 . . . . 75.219999999999999 112.218 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.405 ' H ' ' CD2' ' B' ' 75' ' ' HIS . 0.3 OUTLIER -74.04 98.34 3.06 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 124.662 1.185 . . . . 74.109999999999999 113.041 -177.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -88.62 -31.33 18.63 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.198 0.599 . . . . 74.230000000000004 110.968 169.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.433 0.635 . . . . 73.0 111.398 173.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 110.326 -0.25 . . . . 71.319999999999993 110.326 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -54.2 113.75 1.37 Allowed 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 124.491 1.116 . . . . 75.030000000000001 113.762 -166.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.46 ' HG2' HD23 ' A' ' 4' ' ' LEU . 52.1 ttm -167.79 162.56 13.84 Favored 'General case' 0 CA--C 1.564 1.513 0 C-N-CA 124.533 1.133 . . . . 62.409999999999997 109.819 -174.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.46 HD23 ' HG2' ' A' ' 3' ' ' MET . 1.5 pt? -61.41 -15.63 38.77 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 112.209 0.448 . . . . 71.049999999999997 112.209 173.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -66.42 -38.04 86.55 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.914 1.286 . . . . 74.109999999999999 110.774 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -70.07 -39.38 75.68 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.426 -0.806 . . . . 71.5 110.088 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.636 ' HE2' HD11 ' A' ' 11' ' ' LEU . 58.7 tttt -59.91 -42.29 93.55 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 115.008 -0.996 . . . . 75.329999999999998 111.408 172.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.87 -34.81 76.68 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.704 0.802 . . . . 75.420000000000002 111.334 178.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.38 -36.81 69.96 Favored Glycine 0 CA--C 1.54 1.637 0 CA-C-N 115.495 -0.775 . . . . 52.130000000000003 113.005 173.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.99 -43.85 86.57 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.566 0.746 . . . . 50.450000000000003 111.372 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.636 HD11 ' HE2' ' A' ' 7' ' ' LYS . 87.8 mt -68.9 -33.5 73.86 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.952 0.901 . . . . 73.439999999999998 110.714 176.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.479 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -59.25 -43.28 92.43 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.384 0.674 . . . . 51.229999999999997 112.244 175.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 17' ' ' GLU . . . -58.67 -52.5 52.68 Favored Glycine 0 CA--C 1.536 1.395 0 CA-C-N 115.554 -0.748 . . . . 74.430000000000007 113.926 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -69.95 -34.91 74.03 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.291 0.636 . . . . 65.099999999999994 112.306 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.636 HG23 HG21 ' A' ' 30' ' ' ILE . 63.2 mt -67.14 -39.17 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 C-N-CA 123.112 0.565 . . . . 73.519999999999996 110.908 174.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -60.26 -44.3 95.42 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 123.454 0.701 . . . . 70.420000000000002 111.011 172.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 13' ' ' GLY . 37.0 mt-10 -66.41 -29.44 69.59 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.36 0.664 . . . . 71.409999999999997 112.613 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.34 -36.42 82.86 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.868 0.467 . . . . 51.32 110.937 173.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 67' ' ' LYS . 96.2 mt -87.27 -18.29 30.55 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 123.909 0.884 . . . . 71.340000000000003 112.472 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -64.75 123.42 19.31 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.251 0.621 . . . . 74.030000000000001 111.649 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.3 12.31 69.03 Favored Glycine 0 CA--C 1.541 1.672 0 CA-C-N 116.063 -0.517 . . . . 73.530000000000001 114.023 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.526 HG22 ' H ' ' A' ' 24' ' ' GLY . 10.1 m -118.87 149.22 41.91 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.901 0.88 . . . . 71.329999999999998 110.754 -176.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.38 -23.22 66.29 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.906 0.883 . . . . 75.340000000000003 112.836 176.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.526 ' H ' HG22 ' A' ' 22' ' ' THR . . . 123.71 147.82 7.36 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 113.952 0.341 . . . . 74.25 113.952 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.599 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 2.4 mm? -127.21 164.3 21.99 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.626 0.771 . . . . 64.310000000000002 110.178 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 78.2 p -77.54 168.62 19.69 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 116.22 -0.445 . . . . 73.510000000000005 110.886 171.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -38.91 75.95 Favored 'General case' 0 CA--C 1.564 1.494 0 N-CA-C 113.402 0.89 . . . . 74.540000000000006 113.402 -174.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -65.45 -48.35 72.98 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.586 0.754 . . . . 62.539999999999999 110.986 174.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.599 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 13.2 mm-40 -63.44 -39.3 94.09 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 112.45 0.537 . . . . 73.530000000000001 112.45 -172.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.636 HG21 HG23 ' A' ' 15' ' ' ILE . 56.5 mt -68.38 -46.14 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-O 120.712 0.291 . . . . 73.319999999999993 110.338 175.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -57.39 -35.5 70.08 Favored 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 123.939 0.895 . . . . 71.349999999999994 110.918 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -69.48 -47.3 64.34 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.65 1.18 . . . . 54.43 111.06 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.72 74.48 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.903 0.881 . . . . 75.329999999999998 112.176 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.6 p -89.59 -2.55 58.36 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.771 0.829 . . . . 73.239999999999995 112.338 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt 70.2 23.7 5.09 Favored 'General case' 0 N--CA 1.501 2.099 0 C-N-CA 124.525 1.13 . . . . 62.530000000000001 112.125 175.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.9 mt -85.72 132.11 34.2 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.692 0.797 . . . . 75.530000000000001 109.924 175.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -89.73 -42.31 11.39 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.422 0.689 . . . . 74.329999999999998 111.161 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.05 141.62 28.32 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.82 0.848 . . . . 53.030000000000001 111.408 -176.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -61.13 -31.74 71.45 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.246 1.418 . . . . 64.439999999999998 111.998 176.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -57.09 -42.57 80.99 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.792 1.237 . . . . 72.420000000000002 112.785 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.97 -34.08 76.97 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.395 0.678 . . . . 63.43 111.388 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -64.9 -40.77 95.6 Favored 'General case' 0 CA--C 1.556 1.204 0 CA-C-N 116.027 -0.533 . . . . 70.400000000000006 111.046 174.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -64.03 -40.92 97.39 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 122.994 0.518 . . . . 72.420000000000002 112.333 178.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.25 -47.44 86.05 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.378 0.671 . . . . 43.43 111.644 176.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.603 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -66.4 -51.82 40.11 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 116.131 -0.486 . . . . 55.439999999999998 113.554 178.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.91 -36.76 82.28 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.781 0.833 . . . . 60.229999999999997 111.995 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.99 -31.29 78.07 Favored Glycine 0 N--CA 1.475 1.273 0 CA-C-N 116.015 -0.539 . . . . 41.130000000000003 112.818 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.501 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 11.2 t-105 -77.45 -29.65 52.92 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 123.222 0.609 . . . . 71.420000000000002 111.133 176.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.645 HD23 HG11 ' A' ' 55' ' ' VAL . 5.8 mp -64.95 -31.56 72.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.776 -0.577 . . . . 52.229999999999997 111.001 172.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.407 ' HB3' ' HG2' ' B' ' 5' ' ' LYS . 86.8 mt -72.14 -35.46 69.08 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.973 0.909 . . . . 75.439999999999998 112.874 178.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.573 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 12.2 ptm180 -61.02 -27.07 68.06 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 113.713 1.005 . . . . 62.109999999999999 113.713 -178.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.573 ' HG3' ' HG3' ' A' ' 51' ' ' ARG . 42.8 mt-10 -109.47 -9.27 14.93 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.266 0.626 . . . . 74.439999999999998 111.806 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 61.77 35.44 16.73 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.922 0.889 . . . . 70.219999999999999 111.544 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -77.84 -6.62 54.8 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 115.23 -0.895 . . . . 71.0 111.259 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.645 HG11 HD23 ' A' ' 49' ' ' LEU . 31.0 m -132.66 161.9 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.092 0.957 . . . . 71.400000000000006 111.093 177.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.675 HG13 HG22 ' A' ' 69' ' ' VAL . 15.8 m -116.93 127.9 74.45 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.033 0 C-N-CA 124.071 0.948 . . . . 74.140000000000001 110.654 170.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.0 p -106.05 133.88 50.06 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.53 1.132 . . . . 63.130000000000003 110.106 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.6 t -123.56 148.44 46.34 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.462 1.105 . . . . 54.43 110.075 -178.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -97.23 101.29 12.82 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.595 -0.891 . . . . 73.040000000000006 108.595 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.3 t -122.13 111.18 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.51 0.724 . . . . 63.229999999999997 110.209 -174.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 58.16 35.44 25.06 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 124.897 1.279 . . . . 75.439999999999998 112.116 176.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.52 -13.57 57.8 Favored Glycine 0 CA--C 1.543 1.814 0 CA-C-N 115.885 -0.598 . . . . 22.120000000000001 114.193 -177.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -98.67 155.35 17.37 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.768 0.827 . . . . 54.340000000000003 111.921 -171.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.1 mt -85.24 111.1 20.24 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.178 0 C-N-CA 123.435 0.694 . . . . 74.349999999999994 110.41 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -106.35 133.51 50.93 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.091 0.956 . . . . 71.439999999999998 108.623 171.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.1 p -139.51 149.42 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 CA-C-O 121.26 0.552 . . . . 74.349999999999994 112.476 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.475 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 20.7 pttp -154.73 169.82 23.04 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.182 0.993 . . . . 75.219999999999999 109.707 177.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.542 HD23 HG12 ' A' ' 55' ' ' VAL . 48.4 mt -68.05 160.46 28.79 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 118.504 0.593 . . . . 71.530000000000001 111.51 173.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.675 HG22 HG13 ' A' ' 56' ' ' VAL . 15.8 t -79.17 76.85 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 CA-C-O 121.582 0.706 . . . . 75.310000000000002 109.188 175.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.1 mt -108.87 29.39 7.51 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.268 1.027 . . . . 64.430000000000007 110.641 -177.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.32 93.53 0.1 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.805 1.242 . . . . 75.230000000000004 111.727 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -66.96 -42.62 84.88 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 109.339 -0.615 . . . . 75.239999999999995 109.339 173.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -59.21 119.3 7.1 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 115.499 -0.773 . . . . 74.310000000000002 108.984 163.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -65.99 -54.6 24.04 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.021 0.748 . . . . 73.439999999999998 113.021 -166.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -158.21 166.21 32.97 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 112.267 0.469 . . . . 72.140000000000001 112.267 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -147.72 125.18 11.66 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.601 0.761 . . . . 53.130000000000003 109.345 174.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 122.182 0.992 . . . . 72.420000000000002 111.517 179.019 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.92 0 N-CA-C 112.031 0.382 . . . . 71.5 112.031 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -91.08 32.34 1.02 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.638 0.775 . . . . 63.25 111.451 -177.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.643 ' HB3' ' HB2' ' B' ' 6' ' ' GLU . 12.0 tpt -76.39 151.43 36.58 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.819 1.248 . . . . 71.439999999999998 110.781 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.39 -28.74 67.37 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.234 0.614 . . . . 61.310000000000002 111.076 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.437 ' H ' ' HG3' ' B' ' 3' ' ' MET . 0.9 OUTLIER -67.67 -45.11 76.16 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.532 0.733 . . . . 63.439999999999998 110.212 169.171 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.643 ' HB2' ' HB3' ' B' ' 3' ' ' MET . 2.9 tp10 -70.27 -39.08 75.15 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.434 0.694 . . . . 73.129999999999995 112.388 -169.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -32.59 73.74 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.844 0.457 . . . . 62.140000000000001 111.616 178.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.24 -36.8 85.28 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.537 0.735 . . . . 73.230000000000004 111.154 175.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.63 -38.53 57.23 Favored Glycine 0 C--N 1.35 1.339 0 CA-C-N 115.967 -0.56 . . . . 54.43 113.717 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.9 97.52 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.624 0.77 . . . . 74.409999999999997 111.274 176.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.525 HD22 HD21 ' B' ' 36' ' ' LEU . 81.2 mt -71.75 -37.92 70.48 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.396 -0.82 . . . . 64.510000000000005 111.473 175.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.52 -40.28 86.61 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.335 0.654 . . . . 73.510000000000005 112.656 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.47 -53.57 44.89 Favored Glycine 0 CA--C 1.534 1.281 0 O-C-N 123.779 0.675 . . . . 44.030000000000001 113.305 177.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -70.14 -33.94 72.43 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.076 0.55 . . . . 71.230000000000004 112.404 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.502 HG23 HG21 ' B' ' 30' ' ' ILE . 79.4 mt -64.56 -44.33 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 122.982 0.513 . . . . 75.519999999999996 110.512 175.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -63.73 -41.96 97.98 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.233 0.613 . . . . 65.030000000000001 111.451 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.03 -34.93 78.62 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 123.372 0.669 . . . . 70.030000000000001 111.782 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.65 81.62 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.304 0.642 . . . . 63.310000000000002 111.26 173.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.43 HD23 HD13 ' B' ' 25' ' ' LEU . 75.8 mt -78.35 -29.59 47.61 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.082 0.953 . . . . 62.340000000000003 112.003 177.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -67.89 124.39 23.22 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.681 0.792 . . . . 63.130000000000003 111.359 -173.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.24 -37.4 3.4 Favored Glycine 0 CA--C 1.538 1.505 0 CA-C-N 116.013 -0.539 . . . . 50.219999999999999 112.668 -172.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.9 m -78.97 158.69 27.93 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.098 0.959 . . . . 73.040000000000006 110.848 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.27 10.13 9.21 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.452 0.701 . . . . 74.25 112.267 176.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.65 146.49 10.86 Favored Glycine 0 C--N 1.346 1.109 0 C-N-CA 123.048 0.356 . . . . 63.299999999999997 112.32 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.641 ' HB3' ' HB2' ' B' ' 29' ' ' GLN . 5.2 mp -124.95 159.78 30.43 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.191 0.596 . . . . 74.400000000000006 110.385 -177.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 69.3 p -82.55 170.73 14.87 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 116.358 -0.383 . . . . 54.329999999999998 110.448 171.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -55.08 -34.04 63.28 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 123.809 0.843 . . . . 74.420000000000002 112.123 174.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -63.65 -53.49 50.6 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 124.509 1.123 . . . . 74.209999999999994 112.051 174.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.641 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 69.7 mt-30 -69.29 -40.4 77.75 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.966 0.906 . . . . 72.329999999999998 112.891 -170.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.502 HG21 HG23 ' B' ' 15' ' ' ILE . 71.3 mt -60.91 -39.05 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 122.817 0.447 . . . . 74.439999999999998 111.278 178.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -64.05 -25.42 68.1 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 113.216 0.821 . . . . 72.439999999999998 113.216 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -66.95 -55.93 12.43 Favored 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 109.173 -0.677 . . . . 75.340000000000003 109.173 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.51 86.41 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.529 0.732 . . . . 51.109999999999999 112.304 -173.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 80.5 p -81.64 -21.93 37.91 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.868 0.867 . . . . 54.219999999999999 112.021 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 68.56 35.59 3.16 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 124.735 1.214 . . . . 64.430000000000007 111.404 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.525 HD21 HD22 ' B' ' 11' ' ' LEU . 68.8 mt -81.59 124.72 29.77 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.25 0.62 . . . . 70.209999999999994 110.93 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -82.76 -49.94 9.21 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.944 0.897 . . . . 74.140000000000001 110.859 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.58 131.37 37.75 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.404 0.681 . . . . 74.540000000000006 111.528 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -64.83 -26.44 68.34 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.679 0.791 . . . . 75.120000000000005 111.402 169.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -59.29 -34.97 72.93 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.393 1.077 . . . . 74.120000000000005 112.784 177.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -71.91 -45.81 59.91 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.224 0.61 . . . . 70.140000000000001 110.532 171.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -57.6 -39.04 75.95 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 114.86 -1.064 . . . . 72.400000000000006 112.964 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -64.45 -37.63 88.2 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 123.089 0.556 . . . . 73.049999999999997 112.256 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.37 -40.12 67.52 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.42 0.688 . . . . 62.530000000000001 111.337 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . 0.426 ' O ' HD13 ' B' ' 49' ' ' LEU . . . -66.56 -46.29 77.92 Favored Glycine 0 N--CA 1.478 1.45 0 CA-C-N 116.455 -0.339 . . . . 64.409999999999997 113.004 176.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.672 HD11 HG11 ' B' ' 66' ' ' VAL . 36.3 tp -70.53 -30.71 67.53 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 124.004 0.922 . . . . 75.030000000000001 111.315 178.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.72 -30.59 70.55 Favored Glycine 0 N--CA 1.476 1.311 0 CA-C-N 115.319 -0.855 . . . . 73.530000000000001 112.31 176.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' TRP . . . . . 0.549 ' O ' ' HG2' ' B' ' 51' ' ' ARG . 8.7 t-105 -64.7 -40.9 96.16 Favored 'General case' 0 CA--C 1.562 1.421 0 C-N-CA 123.137 0.575 . . . . 73.549999999999997 110.089 171.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.492 HD23 HG11 ' B' ' 55' ' ' VAL . 6.5 mp -56.98 -28.88 62.75 Favored 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 123.35 0.66 . . . . 53.439999999999998 112.66 177.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.07 -42.32 84.9 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.192 0.597 . . . . 62.240000000000002 111.993 172.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' B' ' 48' ' ' TRP . 12.5 ptp180 -66.23 -28.3 68.62 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 121.302 0.572 . . . . 74.329999999999998 110.275 176.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.414 ' HB3' ' HE2' ' B' ' 54' ' ' LYS . 27.8 mm-40 -78.85 -20.22 50.1 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.433 -0.803 . . . . 75.310000000000002 111.579 178.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 p30 51.75 25.32 2.85 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 126.043 1.737 . . . . 73.120000000000005 112.917 -172.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' B' ' 52' ' ' GLU . 56.6 mtmt -87.47 -0.36 56.7 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.645 0.778 . . . . 72.540000000000006 111.915 178.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.492 HG11 HD23 ' B' ' 49' ' ' LEU . 35.3 m -132.63 163.17 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-O 121.651 0.738 . . . . 62.130000000000003 112.805 176.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 6.7 p -129.72 133.09 65.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 C-N-CA 125.143 1.377 . . . . 74.109999999999999 108.328 167.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . 0.469 HG22 HG12 ' B' ' 66' ' ' VAL . 34.1 p -102.48 154.93 18.62 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 121.238 0.542 . . . . 75.219999999999999 111.09 -172.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 79.9 p -163.46 171.96 15.18 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.633 1.173 . . . . 72.209999999999994 109.47 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -113.17 108.64 17.57 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.97 -0.752 . . . . 74.430000000000007 108.97 172.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 41.1 t -108.66 120.53 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.832 0.853 . . . . 64.409999999999997 109.936 175.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 58.07 29.67 18.14 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.838 1.655 . . . . 73.219999999999999 112.982 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.77 -3.24 65.06 Favored Glycine 0 CA--C 1.541 1.692 0 N-CA-C 114.982 0.753 . . . . 70.530000000000001 114.982 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -117.45 163.27 16.64 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 118.108 0.954 . . . . 74.299999999999997 112.02 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 70.7 mt -72.81 122.05 24.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 CA-C-N 115.278 -0.874 . . . . 70.230000000000004 109.529 174.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -128.26 128.04 43.93 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.267 1.027 . . . . 50.049999999999997 109.47 -176.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.672 HG11 HD11 ' B' ' 46' ' ' LEU . 29.2 m -123.44 147.51 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.33 0.652 . . . . 71.349999999999994 111.314 -176.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -129.15 151.11 50.18 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.524 1.13 . . . . 72.109999999999999 108.756 -177.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 58.2 mt -76.92 73.53 3.53 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-N 119.462 1.028 . . . . 54.039999999999999 111.638 175.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 15.7 t 51.15 30.17 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 C-N-CA 124.889 1.276 . . . . 61.200000000000003 111.661 -178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 85.1 mt -73.14 132.39 43.21 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.689 -0.687 . . . . 54.229999999999997 110.38 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -70.55 94.11 0.96 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.341 0.656 . . . . 70.430000000000007 110.693 -175.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -154.84 158.51 39.51 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 122.996 0.518 . . . . 71.5 110.723 -176.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 74.0 t60 78.96 2.79 2.44 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 125.925 1.69 . . . . 63.399999999999999 112.83 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -82.77 153.53 25.2 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.893 -0.505 . . . . 75.319999999999993 109.775 172.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 70.64 -64.88 0.35 Allowed 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 125.325 1.45 . . . . 63.210000000000001 111.628 -173.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -76.09 97.09 3.98 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.128 0.571 . . . . 74.209999999999994 110.587 177.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 . . . . . 0 N--CA 1.479 0.98 0 C-N-CA 124.318 1.047 . . . . 73.109999999999999 110.674 177.163 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 ttm . . . . . 0 N--CA 1.483 1.205 0 N-CA-C 110.531 -0.174 . . . . 63.149999999999999 110.531 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm 61.21 26.26 16.15 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 124.633 1.173 . . . . 72.209999999999994 113.923 171.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.7 mmt -74.78 143.52 43.98 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.951 0.501 . . . . 70.510000000000005 111.991 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mp -62.04 -16.56 52.8 Favored 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 123.965 0.906 . . . . 74.540000000000006 111.837 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -59.27 -48.63 80.89 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.309 1.044 . . . . 72.340000000000003 111.373 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -65.99 -33.04 74.89 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 115.017 -0.992 . . . . 72.140000000000001 110.454 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -44.73 72.5 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.664 0.786 . . . . 73.299999999999997 111.358 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.89 -34.72 71.98 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.729 0.812 . . . . 74.049999999999997 112.353 177.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.92 -39.73 96.72 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-N 115.951 -0.568 . . . . 64.540000000000006 113.766 174.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.08 -33.41 75.97 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.375 0.67 . . . . 54.229999999999997 111.768 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.44 -42.02 83.81 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.763 0.825 . . . . 61.049999999999997 111.315 176.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -57.73 -41.98 82.95 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.939 0.896 . . . . 74.040000000000006 112.811 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.52 -37.89 84.63 Favored Glycine 0 CA--C 1.536 1.397 0 CA-C-N 115.753 -0.658 . . . . 64.129999999999995 113.648 177.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -73.1 -46.26 52.36 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.319 0.648 . . . . 65.400000000000006 111.502 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.611 HG23 HG21 ' A' ' 30' ' ' ILE . 68.2 mt -66.68 -41.87 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 123.689 0.796 . . . . 72.019999999999996 111.91 -176.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -60.99 -43.36 98.95 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.069 0.548 . . . . 73.319999999999993 110.777 173.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.07 -30.97 69.41 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.56 0.744 . . . . 75.519999999999996 111.47 -177.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.0 -30.97 68.42 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.505 0.722 . . . . 62.340000000000003 111.271 173.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.5 mt -81.31 -20.15 41.38 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.759 0.824 . . . . 53.140000000000001 111.844 172.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -79.56 120.24 23.64 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.425 0.69 . . . . 71.329999999999998 109.24 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.68 -8.76 37.34 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 122.874 0.273 . . . . 74.420000000000002 112.777 -169.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.7 p -129.18 168.72 15.74 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.496 1.118 . . . . 75.340000000000003 109.789 175.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.427 ' HA ' HD11 ' A' ' 70' ' ' LEU . 13.1 pt-20 -91.07 -4.05 56.64 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 111.876 0.324 . . . . 71.510000000000005 111.876 178.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.35 131.63 2.54 Favored Glycine 0 C--N 1.35 1.344 0 CA-C-N 116.637 -0.256 . . . . 62.149999999999999 113.067 -175.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.426 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 98.1 mt -125.4 159.32 32.14 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.894 0.877 . . . . 72.140000000000001 110.941 -178.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.2 p -82.82 167.13 18.39 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 109.475 -0.565 . . . . 50.399999999999999 109.475 173.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 20.3 pt20 -51.34 -42.74 61.48 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 123.393 0.677 . . . . 62.039999999999999 112.435 -177.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -57.68 -49.62 75.91 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.465 1.106 . . . . 71.25 113.058 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.426 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 47.8 mt-30 -67.19 -33.0 74.45 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.689 0.795 . . . . 74.439999999999998 111.864 -174.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.611 HG21 HG23 ' A' ' 15' ' ' ILE . 57.3 mt -73.31 -45.43 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.41 0.684 . . . . 60.109999999999999 111.132 177.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 27' ' ' GLN . 51.5 mtpt -59.55 -34.03 72.15 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.416 0.687 . . . . 43.340000000000003 111.781 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -69.91 -48.11 59.85 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 123.45 0.7 . . . . 60.530000000000001 110.342 175.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.0 -34.18 77.83 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.533 0.733 . . . . 70.230000000000004 112.621 -177.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.8 p -87.95 -17.2 31.83 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.876 0.871 . . . . 73.25 111.467 176.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm 65.94 31.38 9.26 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 125.369 1.468 . . . . 65.409999999999997 112.575 -178.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 pp -101.93 137.29 40.41 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-O 121.196 0.522 . . . . 75.310000000000002 110.389 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.65 -12.81 30.62 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.568 0.747 . . . . 71.0 112.315 -179.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -98.23 114.08 26.22 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.437 0.695 . . . . 75.340000000000003 112.4 -170.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -59.58 -27.41 66.24 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.116 0.566 . . . . 70.299999999999997 110.555 168.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 40' ' ' LYS . 2.0 mmmp? -50.49 -57.9 7.0 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.46 1.504 . . . . 62.109999999999999 112.662 175.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -76.94 -21.53 54.67 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.972 0.509 . . . . 63.009999999999998 111.48 -177.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -63.11 -40.45 97.66 Favored 'General case' 0 CA--C 1.557 1.221 0 CA-C-N 115.768 -0.651 . . . . 74.109999999999999 110.9 170.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -65.34 -39.78 92.82 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 123.064 0.546 . . . . 74.099999999999994 112.201 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.78 -46.15 89.35 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.414 0.686 . . . . 34.100000000000001 111.303 178.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.607 ' HA3' HD12 ' A' ' 15' ' ' ILE . . . -68.97 -50.72 32.91 Favored Glycine 0 CA--C 1.537 1.421 0 CA-C-N 116.062 -0.517 . . . . 62.130000000000003 113.311 177.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.4 tp -56.7 -38.16 71.9 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.304 1.042 . . . . 74.329999999999998 112.141 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.9 -31.61 72.87 Favored Glycine 0 N--CA 1.476 1.309 0 CA-C-N 115.21 -0.904 . . . . 72.340000000000003 112.336 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.523 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 8.6 t-105 -74.15 -31.79 62.86 Favored 'General case' 0 CA--C 1.564 1.51 0 C-N-CA 123.928 0.891 . . . . 60.210000000000001 110.699 175.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.471 HD23 HG11 ' A' ' 55' ' ' VAL . 6.4 mp -66.4 -36.36 82.63 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.596 -0.69 . . . . 45.539999999999999 110.705 172.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.507 HD21 HG23 ' A' ' 57' ' ' THR . 96.2 mt -71.68 -34.13 69.42 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.943 0.897 . . . . 70.25 112.627 175.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.644 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 7.9 ptt180 -60.9 -37.35 81.94 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 112.09 0.404 . . . . 72.430000000000007 112.09 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.644 ' HG3' ' HG3' ' A' ' 51' ' ' ARG . 44.3 mt-10 -100.36 -6.6 25.52 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.82 0.848 . . . . 65.219999999999999 112.031 -178.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 63.49 36.21 11.41 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 124.258 1.023 . . . . 52.219999999999999 112.359 174.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.53 ' HE3' ' HB2' ' A' ' 52' ' ' GLU . 14.9 ptpt -85.21 -5.87 59.3 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.222 0.609 . . . . 74.510000000000005 111.021 175.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.548 HG12 HD23 ' A' ' 68' ' ' LEU . 26.4 m -136.77 168.6 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 C-N-CA 124.465 1.106 . . . . 74.219999999999999 110.494 174.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.7 m -135.35 139.55 46.56 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 124.766 1.227 . . . . 73.510000000000005 109.598 168.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.507 HG23 HD21 ' A' ' 50' ' ' LEU . 39.9 p -106.78 148.1 28.87 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.624 0.769 . . . . 73.340000000000003 111.497 -173.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.2 m -137.82 154.31 49.54 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.833 1.253 . . . . 44.509999999999998 109.801 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -110.18 108.3 18.39 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.425 0.69 . . . . 71.400000000000006 109.368 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.4 t -121.43 109.34 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 123.473 0.709 . . . . 74.450000000000003 110.357 -173.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 51.59 32.54 9.23 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.249 1.42 . . . . 74.349999999999994 113.97 173.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.98 -21.45 45.83 Favored Glycine 0 CA--C 1.538 1.52 0 N-CA-C 114.639 0.615 . . . . 54.210000000000001 114.639 -178.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -80.05 136.35 36.55 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 117.834 0.817 . . . . 74.299999999999997 111.661 176.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 66.5 mt -75.1 100.79 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 N-CA-C 109.084 -0.71 . . . . 75.129999999999995 109.084 167.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -92.13 140.37 29.7 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.345 0.658 . . . . 62.020000000000003 109.959 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.0 p -140.46 147.31 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 C-N-CA 123.226 0.61 . . . . 63.420000000000002 110.726 172.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.7 147.31 35.45 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.098 0.559 . . . . 44.119999999999997 110.696 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.548 HD23 HG12 ' A' ' 55' ' ' VAL . 69.8 mt -64.11 147.3 52.55 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 110.347 -0.242 . . . . 71.430000000000007 110.347 174.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 78.5 t -70.4 87.2 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-O 121.54 0.686 . . . . 74.450000000000003 109.93 174.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.427 HD11 ' HA ' ' A' ' 23' ' ' GLU . 67.6 mt -83.02 -8.23 59.58 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 115.4 -0.818 . . . . 64.010000000000005 111.507 177.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -59.71 122.19 13.53 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.527 0.731 . . . . 75.430000000000007 109.967 169.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -82.97 -27.4 30.49 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.503 0.721 . . . . 75.010000000000005 110.685 -177.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 67.1 t60 53.41 78.41 0.15 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.185 1.394 . . . . 74.519999999999996 112.373 175.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -86.01 149.47 25.15 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.491 -0.777 . . . . 71.239999999999995 109.962 176.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -83.16 -50.39 8.5 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 109.781 -0.451 . . . . 75.010000000000005 109.781 170.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -169.52 131.04 1.11 Allowed 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.025 0.93 . . . . 55.100000000000001 109.856 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 . . . . . 0 N--CA 1.487 1.375 0 C-N-CA 123.359 0.664 . . . . 64.319999999999993 111.004 176.358 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 CA--C 1.554 1.128 0 N-CA-C 111.445 0.165 . . . . 71.540000000000006 111.445 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -81.08 111.41 17.52 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.727 0.811 . . . . 73.209999999999994 110.685 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 84.8 mtp -121.89 139.73 53.28 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.603 0.761 . . . . 62.310000000000002 111.485 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.68 -16.93 64.57 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.536 0.734 . . . . 72.420000000000002 112.381 175.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -60.92 -35.36 76.51 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.069 0.948 . . . . 53.210000000000001 112.305 172.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -63.16 -36.75 84.67 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.669 0.787 . . . . 72.049999999999997 112.41 -170.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -31.68 68.56 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 112.338 0.495 . . . . 73.430000000000007 112.338 178.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.76 84.94 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 122.85 0.46 . . . . 75.439999999999998 110.583 176.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.29 -34.46 57.78 Favored Glycine 0 CA--C 1.539 1.588 0 CA-C-N 115.37 -0.832 . . . . 73.510000000000005 113.518 174.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.47 -52.1 36.16 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.189 0.596 . . . . 65.109999999999999 111.206 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -57.63 -37.47 73.36 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.3 1.04 . . . . 74.129999999999995 111.383 174.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.514 ' HB2' ' HB3' ' B' ' 48' ' ' TRP . . . -56.88 -45.71 82.33 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.587 0.555 . . . . 64.230000000000004 112.035 175.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.01 -48.69 85.01 Favored Glycine 0 C--N 1.347 1.171 0 O-C-N 123.884 0.74 . . . . 73.209999999999994 113.211 175.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -59.85 -48.87 79.96 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 123.748 0.819 . . . . 75.230000000000004 111.777 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.578 HG23 HG21 ' B' ' 30' ' ' ILE . 97.9 mt -62.93 -44.75 99.82 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 124.061 0.945 . . . . 52.43 111.603 177.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -63.69 -39.5 94.46 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.478 0.711 . . . . 55.130000000000003 111.753 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -69.05 -26.42 64.96 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.654 0.782 . . . . 52.100000000000001 112.077 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.74 -29.89 65.01 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.029 0.532 . . . . 65.450000000000003 111.242 170.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.534 HD22 ' HA2' ' B' ' 24' ' ' GLY . 87.3 mt -86.69 -21.16 26.83 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.773 0.829 . . . . 72.219999999999999 111.811 176.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -70.05 120.54 15.9 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.74 0.816 . . . . 65.109999999999999 110.909 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.97 -33.62 5.62 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 115.801 -0.636 . . . . 41.340000000000003 113.04 -175.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 31.9 p -89.12 173.63 8.33 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.423 0.689 . . . . 74.450000000000003 111.702 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -89.65 8.57 30.81 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.832 0.853 . . . . 75.010000000000005 111.889 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.534 ' HA2' HD22 ' B' ' 19' ' ' LEU . . . 91.9 141.42 10.01 Favored Glycine 0 C--N 1.353 1.473 0 C-N-CA 122.835 0.255 . . . . 63.229999999999997 113.451 -176.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.84 176.54 5.35 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.913 0.885 . . . . 75.329999999999998 110.649 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 75.8 p -87.1 166.37 15.05 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 122.72 0.408 . . . . 73.099999999999994 110.326 172.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.42 ' HG2' ' CD2' ' B' ' 42' ' ' PHE . 0.3 OUTLIER -51.9 -51.2 58.52 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.36 1.064 . . . . 73.400000000000006 111.474 -174.188 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -61.69 -32.42 72.61 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 113.116 0.784 . . . . 61.049999999999997 113.116 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -74.83 -40.95 60.77 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.156 0.582 . . . . 73.150000000000006 111.707 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.578 HG21 HG23 ' B' ' 15' ' ' ILE . 57.4 mt -71.79 -47.13 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 123.183 0.593 . . . . 71.310000000000002 111.492 -177.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -61.88 -29.39 70.16 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.518 0.327 . . . . 70.430000000000007 111.707 178.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -70.79 -49.88 41.77 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.126 0.57 . . . . 43.240000000000002 109.666 174.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.7 91.05 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.83 0.852 . . . . 73.129999999999995 112.379 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.472 ' OG1' ' HG ' ' B' ' 36' ' ' LEU . 72.2 p -86.44 -8.07 57.92 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.164 0.986 . . . . 65.239999999999995 111.874 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? 62.68 37.89 12.42 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 125.059 1.343 . . . . 65.239999999999995 112.435 177.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.472 ' HG ' ' OG1' ' B' ' 34' ' ' THR . 88.8 mt -64.49 127.59 32.15 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.482 0.713 . . . . 74.430000000000007 110.436 173.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 pptp? -67.29 -22.99 65.62 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.354 0.662 . . . . 73.510000000000005 112.596 -172.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.93 172.74 12.33 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.119 0.967 . . . . 32.210000000000001 110.878 174.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -69.81 -28.79 66.02 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.788 0.835 . . . . 65.239999999999995 110.224 170.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -63.75 -29.83 71.0 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.488 1.115 . . . . 70.420000000000002 112.952 -175.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -60.0 -41.23 91.66 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.517 0.727 . . . . 55.219999999999999 110.623 174.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 0.472 ' HA ' HD11 ' B' ' 15' ' ' ILE . 65.7 t80 -64.76 -43.73 92.34 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 114.849 -1.069 . . . . 71.439999999999998 111.763 -178.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -66.44 -33.44 75.7 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 122.96 0.504 . . . . 74.409999999999997 112.306 -173.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.66 -43.34 66.24 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.284 0.634 . . . . 75.409999999999997 111.309 175.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.46 -42.33 93.8 Favored Glycine 0 CA--C 1.537 1.464 0 CA-C-N 116.369 -0.378 . . . . 74.349999999999994 113.192 176.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.6 tp -64.45 -33.42 75.84 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.27 1.028 . . . . 74.109999999999999 111.27 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.28 -34.02 87.88 Favored Glycine 0 N--CA 1.472 1.058 0 CA-C-N 115.726 -0.67 . . . . 51.399999999999999 112.365 176.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' TRP . . . . . 0.514 ' HB3' ' HB2' ' B' ' 12' ' ' ALA . 21.0 t-105 -77.0 -34.68 57.49 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 123.034 0.533 . . . . 71.329999999999998 110.861 175.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.445 ' HB3' ' CG2' ' B' ' 55' ' ' VAL . 8.0 mp -56.42 -40.64 75.06 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.473 0.709 . . . . 74.040000000000006 111.779 172.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -67.6 -42.41 82.47 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.783 0.833 . . . . 72.430000000000007 112.466 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -18.8 60.89 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 112.181 0.437 . . . . 72.25 112.181 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.559 ' HB2' ' HD2' ' B' ' 54' ' ' LYS . 12.0 mm-40 -91.86 -15.53 28.02 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.673 0.389 . . . . 63.219999999999999 111.642 174.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 56.26 29.55 15.11 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.202 1.001 . . . . 64.349999999999994 111.581 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.559 ' HD2' ' HB2' ' B' ' 52' ' ' GLU . 1.8 ptmm? -86.4 -7.64 58.29 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 114.638 -1.165 . . . . 73.25 110.863 -177.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' B' ' 49' ' ' LEU . 34.8 m -138.35 178.92 3.7 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.224 0 C-N-CA 124.69 1.196 . . . . 63.450000000000003 111.419 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 p -141.96 140.14 30.22 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 124.38 1.072 . . . . 72.019999999999996 110.498 169.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 46.2 p -110.19 134.39 52.27 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.204 1.002 . . . . 62.530000000000001 112.12 -173.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 38.3 t -135.44 170.55 15.76 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.426 1.491 . . . . 72.120000000000005 109.81 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -112.37 107.54 16.39 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.761 0.424 . . . . 64.450000000000003 110.584 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 39.6 t -113.68 117.57 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 124.02 0.928 . . . . 73.099999999999994 110.62 178.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 58.87 37.96 24.66 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 124.928 1.291 . . . . 65.319999999999993 112.94 172.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.1 12.42 84.65 Favored Glycine 0 CA--C 1.537 1.424 0 CA-C-N 115.866 -0.606 . . . . 54.520000000000003 113.834 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -127.2 155.75 42.92 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.745 0.818 . . . . 73.519999999999996 111.107 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 69.2 mt -74.83 111.69 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 C-N-CA 123.418 0.687 . . . . 74.140000000000001 110.168 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -94.65 135.49 36.06 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.71 -0.848 . . . . 74.209999999999994 108.71 169.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 8.8 p -139.36 143.56 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-O 120.834 0.35 . . . . 73.409999999999997 111.015 174.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -146.15 162.55 37.74 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.506 0.722 . . . . 61.439999999999998 110.466 -177.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 17.6 mt -70.56 154.19 42.12 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 120.451 0.167 . . . . 74.340000000000003 110.828 175.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 52.7 t -69.27 114.36 6.2 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.252 0 C-N-CA 122.644 0.378 . . . . 42.539999999999999 110.141 176.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 6.0 mp -68.71 -17.52 64.08 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 123.757 0.823 . . . . 75.010000000000005 112.259 -173.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -60.85 117.33 5.28 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.497 0.719 . . . . 64.209999999999994 110.244 173.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -72.45 110.83 7.13 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.589 0.756 . . . . 61.229999999999997 111.714 -173.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -103.79 155.44 18.6 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.977 0.911 . . . . 75.349999999999994 111.401 -176.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -98.0 121.3 39.75 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.132 0.973 . . . . 63.130000000000003 109.644 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -111.57 167.35 10.39 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.611 0.764 . . . . 72.25 111.844 -175.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -62.38 97.08 0.09 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.854 0.861 . . . . 60.32 109.625 173.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 . . . . . 0 N--CA 1.479 1.011 0 C-N-CA 123.937 0.895 . . . . 70.219999999999999 111.105 -168.126 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.564 ' HB2' ' HB2' ' A' ' 6' ' ' GLU . 24.6 ptt? . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 120.214 0.054 . . . . 75.040000000000006 110.884 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -95.91 -40.45 9.29 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 122.652 0.381 . . . . 73.530000000000001 111.107 173.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.3 mmm -114.92 154.4 28.79 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 123.605 0.762 . . . . 74.109999999999999 111.168 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.6 mt -64.26 -21.83 66.73 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 113.143 0.794 . . . . 61.240000000000002 113.143 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -64.76 -34.01 77.32 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.699 0.4 . . . . 55.539999999999999 112.069 174.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 1' ' ' MET . 35.7 mm-40 -62.11 -38.88 90.55 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.289 0.636 . . . . 73.340000000000003 112.435 -170.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.448 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -66.24 -32.3 73.64 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.717 0.407 . . . . 62.240000000000002 111.786 178.616 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.0 -35.0 78.98 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.267 0.627 . . . . 71.150000000000006 111.07 175.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.09 -32.35 63.23 Favored Glycine 0 C--N 1.351 1.392 0 CA-C-N 115.461 -0.791 . . . . 60.25 113.289 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.4 -49.53 68.91 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.332 0.653 . . . . 60.219999999999999 111.08 174.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.493 HD22 HD21 ' A' ' 36' ' ' LEU . 64.9 mt -67.0 -27.01 67.08 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.332 0.653 . . . . 72.519999999999996 111.525 178.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.464 ' HB2' ' HB3' ' A' ' 48' ' ' TRP . . . -59.71 -45.25 92.73 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.261 0.625 . . . . 73.340000000000003 111.59 172.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.07 -32.37 82.07 Favored Glycine 0 CA--C 1.537 1.414 0 CA-C-N 115.618 -0.719 . . . . 41.229999999999997 113.394 175.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -69.43 -48.96 59.32 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.375 0.67 . . . . 74.019999999999996 111.583 177.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.446 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 64.8 mt -69.55 -46.38 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 123.48 0.712 . . . . 63.399999999999999 111.507 -176.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -57.27 -43.04 82.71 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.823 0.849 . . . . 74.129999999999995 110.816 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -59.45 -43.49 93.14 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.532 1.133 . . . . 62.229999999999997 111.015 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.17 -29.1 68.7 Favored 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 123.484 0.714 . . . . 45.549999999999997 112.569 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 61.8 mt -83.79 -25.18 30.67 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.255 0.622 . . . . 64.5 111.518 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -70.27 136.77 50.18 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.749 0.82 . . . . 71.310000000000002 111.61 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.35 9.9 73.73 Favored Glycine 0 N--CA 1.48 1.573 0 CA-C-N 116.195 -0.457 . . . . 54.399999999999999 113.85 -175.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 m -134.44 169.57 17.05 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.859 1.264 . . . . 74.549999999999997 108.322 -177.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -88.22 29.13 0.98 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.767 0.427 . . . . 70.349999999999994 110.68 168.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.431 ' HA3' ' HB3' ' A' ' 67' ' ' LYS . . . 79.86 -175.87 54.85 Favored Glycine 0 C--N 1.344 1.001 0 CA-C-O 121.408 0.449 . . . . 74.340000000000003 113.81 -177.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.6 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 95.7 mt -145.39 164.14 32.41 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.217 1.007 . . . . 61.140000000000001 109.444 -174.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.7 p -78.2 164.86 24.57 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 109.447 -0.575 . . . . 63.240000000000002 109.447 169.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 18.0 pt20 -54.33 -39.48 67.08 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.711 0.404 . . . . 72.230000000000004 110.558 178.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -57.55 -52.16 66.54 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.126 1.37 . . . . 70.5 112.003 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.6 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 17.6 mm-40 -65.72 -34.8 79.04 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.582 0.753 . . . . 64.209999999999994 111.437 -177.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.437 HD11 HD21 ' A' ' 19' ' ' LEU . 97.5 mt -70.56 -41.6 78.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 123.435 0.694 . . . . 73.540000000000006 111.263 177.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 12.2 mmmm -58.77 -39.34 80.73 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.288 0.635 . . . . 72.109999999999999 111.361 177.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -68.7 -41.7 78.75 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.263 -0.88 . . . . 73.219999999999999 111.821 176.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.57 -45.93 70.75 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.524 0.729 . . . . 53.020000000000003 112.357 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.5 p -90.96 -14.88 30.7 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.342 1.057 . . . . 72.430000000000007 112.476 -172.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 66.15 42.0 3.32 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 124.537 1.135 . . . . 53.109999999999999 111.874 174.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.493 HD21 HD22 ' A' ' 11' ' ' LEU . 97.0 mt -83.14 138.0 33.84 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.562 0.345 . . . . 73.329999999999998 111.605 -177.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -66.51 -36.11 81.92 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.973 0.909 . . . . 74.439999999999998 112.533 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.18 152.6 47.53 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.266 0.626 . . . . 70.310000000000002 111.576 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -59.96 -25.58 65.32 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.982 0.913 . . . . 72.450000000000003 111.35 171.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -53.11 -43.74 67.11 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.807 1.243 . . . . 74.5 112.176 172.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -67.97 -34.61 76.88 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.45 0.7 . . . . 71.420000000000002 110.819 178.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -63.81 -36.61 84.48 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 115.413 -0.812 . . . . 70.209999999999994 111.256 173.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -71.28 -34.5 70.72 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 122.566 0.347 . . . . 63.329999999999998 111.744 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -71.07 -42.49 69.33 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.247 0.619 . . . . 63.229999999999997 111.047 175.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.19 -53.91 23.48 Favored Glycine 0 CA--C 1.537 1.445 0 CA-C-N 116.417 -0.356 . . . . 62.329999999999998 112.969 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.1 tp -62.03 -30.39 70.94 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.267 1.027 . . . . 61.229999999999997 111.644 176.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.34 -30.92 75.44 Favored Glycine 0 N--CA 1.475 1.237 0 CA-C-N 116.007 -0.542 . . . . 71.450000000000003 112.712 174.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.49 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 2.3 t-105 -76.91 -36.06 56.93 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 123.154 0.582 . . . . 70.109999999999999 110.694 174.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.506 HD23 HG11 ' A' ' 55' ' ' VAL . 7.5 mp -63.46 -31.77 73.02 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.069 0.547 . . . . 73.340000000000003 111.391 173.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 tt -76.5 -42.92 41.7 Favored 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 123.376 0.671 . . . . 75.140000000000001 109.722 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.666 ' HB2' ' HB3' ' B' ' 51' ' ' ARG . 9.1 ptp180 -60.64 -33.06 72.24 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 113.817 1.043 . . . . 74.310000000000002 113.817 -172.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -102.39 0.87 34.63 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.103 0.561 . . . . 73.329999999999998 112.066 178.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.7 t70 62.54 44.3 7.08 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 122.436 1.113 . . . . 72.439999999999998 110.503 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -76.61 -32.62 58.17 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 114.586 -1.188 . . . . 64.340000000000003 110.703 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.506 HG11 HD23 ' A' ' 49' ' ' LEU . 29.8 m -132.5 173.44 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.41 0.684 . . . . 73.239999999999995 112.302 -173.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -122.2 138.57 51.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 C-N-CA 124.827 1.251 . . . . 51.43 109.548 170.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.429 ' HA ' HG12 ' A' ' 66' ' ' VAL . 46.8 p -101.72 136.27 41.84 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.751 0.821 . . . . 43.310000000000002 111.819 -175.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.1 t -146.66 172.23 13.92 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.787 1.235 . . . . 70.349999999999994 109.685 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.88 121.64 33.77 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 121.668 0.747 . . . . 63.229999999999997 111.046 173.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.9 t -105.22 111.04 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.506 0.722 . . . . 64.150000000000006 109.795 172.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 58.89 41.79 20.7 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.627 1.171 . . . . 73.510000000000005 112.869 172.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.68 7.24 88.77 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 115.463 -0.789 . . . . 73.430000000000007 114.629 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -119.46 151.2 38.95 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.454 0.701 . . . . 75.430000000000007 110.744 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 74.4 mt -69.8 129.57 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 122.845 0.458 . . . . 75.340000000000003 110.278 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -132.0 122.03 24.86 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.4 1.08 . . . . 70.319999999999993 109.143 177.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.429 HG12 ' HA ' ' A' ' 57' ' ' THR . 28.9 m -128.67 151.26 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.045 0.538 . . . . 71.530000000000001 111.356 -179.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.431 ' HB3' ' HA3' ' A' ' 24' ' ' GLY . 62.5 pttt -155.32 162.02 40.94 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 122.929 0.492 . . . . 75.209999999999994 110.923 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.498 HD23 HG12 ' A' ' 55' ' ' VAL . 35.4 mt -63.25 145.73 54.91 Favored 'General case' 0 CA--C 1.557 1.215 0 CA-C-O 120.897 0.38 . . . . 64.430000000000007 111.663 -179.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.553 HG12 ' HG ' ' A' ' 70' ' ' LEU . 85.7 t -58.34 143.18 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 123.898 0.879 . . . . 73.450000000000003 111.592 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.553 ' HG ' HG12 ' A' ' 69' ' ' VAL . 75.4 mt 78.69 -29.19 0.15 Allowed 'General case' 0 N--CA 1.504 2.247 0 C-N-CA 125.537 1.535 . . . . 63.229999999999997 113.54 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -63.91 103.93 0.64 Allowed 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 113.252 0.834 . . . . 75.120000000000005 113.252 -176.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 49.26 60.41 3.78 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 125.805 1.642 . . . . 74.340000000000003 111.355 -173.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -93.4 110.41 21.97 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.481 -0.781 . . . . 72.329999999999998 111.068 -173.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -131.82 -90.65 0.42 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.216 0.606 . . . . 54.240000000000002 110.589 171.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -171.58 141.84 1.53 Allowed 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.737 0.815 . . . . 71.420000000000002 110.694 -176.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -88.24 -25.02 23.08 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.476 0.71 . . . . 74.450000000000003 110.996 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 . . . . . 0 N--CA 1.486 1.371 0 C-N-CA 124.532 1.133 . . . . 64.439999999999998 110.432 173.757 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.6 ttm . . . . . 0 CA--C 1.549 0.908 0 CA-C-O 120.987 0.422 . . . . 71.019999999999996 110.785 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -159.58 171.01 20.4 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.396 1.078 . . . . 64.430000000000007 111.166 176.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.481 ' HG3' ' HB3' ' B' ' 5' ' ' LYS . 20.6 ptm -153.94 179.2 9.12 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.277 0.631 . . . . 71.109999999999999 111.993 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.41 -17.17 64.16 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 123.703 0.801 . . . . 60.039999999999999 111.945 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.481 ' HB3' ' HG3' ' B' ' 3' ' ' MET . 88.4 tttt -66.89 -30.7 70.93 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.991 0.916 . . . . 73.400000000000006 111.732 172.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -62.25 -51.88 65.97 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.443 0.697 . . . . 73.140000000000001 111.621 -177.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -31.26 72.37 Favored 'General case' 0 CA--C 1.555 1.148 0 O-C-N 123.225 0.328 . . . . 63.439999999999998 111.866 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.27 -50.71 66.85 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 120.905 0.383 . . . . 71.219999999999999 111.909 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.26 -35.57 52.53 Favored Glycine 0 CA--C 1.539 1.551 0 N-CA-C 114.772 0.669 . . . . 72.120000000000005 114.772 -176.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.07 -50.03 57.66 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.149 0.58 . . . . 70.219999999999999 112.414 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.566 HD22 HD21 ' B' ' 36' ' ' LEU . 82.4 mt -62.41 -24.81 67.6 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 123.175 0.59 . . . . 74.430000000000007 111.919 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.96 -36.92 68.35 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.009 0.924 . . . . 55.509999999999998 112.414 174.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.32 -49.02 83.17 Favored Glycine 0 CA--C 1.538 1.482 0 CA-C-N 116.08 -0.509 . . . . 73.439999999999998 113.524 175.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -64.62 -43.72 92.84 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.724 0.81 . . . . 63.32 111.72 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.486 HD12 ' HA3' ' B' ' 45' ' ' GLY . 77.7 mt -63.79 -39.73 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 123.629 0.772 . . . . 73.120000000000005 111.243 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' TRP . . . . . 0.401 ' CD1' ' HD3' ' B' ' 54' ' ' LYS . 87.0 t90 -58.38 -49.36 77.53 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.0 0.52 . . . . 63.109999999999999 110.95 174.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.6 -33.97 74.83 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.799 0.84 . . . . 73.540000000000006 112.261 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.74 81.54 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.193 0.597 . . . . 42.149999999999999 111.59 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.597 HD23 ' HA ' ' B' ' 67' ' ' LYS . 7.5 mp -96.59 -10.75 26.49 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.539 0.736 . . . . 60.350000000000001 112.311 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -60.64 122.49 14.86 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.244 0.617 . . . . 65.329999999999998 111.644 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.01 22.07 77.07 Favored Glycine 0 CA--C 1.539 1.586 0 CA-C-N 116.521 -0.309 . . . . 62.409999999999997 113.512 -177.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.662 HG22 ' H ' ' B' ' 24' ' ' GLY . 27.3 m -121.01 147.08 45.99 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.761 0.824 . . . . 73.450000000000003 111.258 -176.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.68 -17.42 64.07 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 125.04 1.336 . . . . 43.130000000000003 113.114 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.662 ' H ' HG22 ' B' ' 22' ' ' THR . . . 129.12 149.69 6.92 Favored Glycine 0 C--N 1.348 1.24 0 C-N-CA 123.161 0.41 . . . . 63.109999999999999 113.02 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 90.3 mt -136.52 159.22 42.44 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.681 0.792 . . . . 54.210000000000001 110.774 -177.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 69.8 p -97.88 169.11 9.88 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.602 0.761 . . . . 73.439999999999998 110.515 170.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -55.81 -33.63 64.61 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 113.373 0.879 . . . . 61.5 113.373 -173.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.09 -48.32 82.24 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.833 0.853 . . . . 74.430000000000007 112.024 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -70.13 -37.57 75.31 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 115.518 -0.764 . . . . 75.230000000000004 111.561 -177.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.456 HG21 HG23 ' B' ' 15' ' ' ILE . 51.1 mt -73.5 -46.58 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 123.167 0.587 . . . . 74.430000000000007 111.663 -177.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -61.74 -34.53 75.99 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 122.636 0.374 . . . . 72.019999999999996 111.11 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -70.53 -40.62 73.36 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.318 0.647 . . . . 74.409999999999997 110.765 176.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.92 -35.55 78.63 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.589 0.756 . . . . 64.450000000000003 112.324 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 72.0 p -93.13 -9.39 39.62 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.125 0.97 . . . . 74.340000000000003 112.364 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 64.1 mttm 71.18 19.86 5.31 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 125.31 1.444 . . . . 75.319999999999993 111.969 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.566 HD21 HD22 ' B' ' 11' ' ' LEU . 89.4 mt -76.87 110.2 11.29 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.475 0.71 . . . . 74.409999999999997 110.012 175.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -67.72 -46.39 72.33 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.887 0.875 . . . . 73.439999999999998 110.752 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.6 132.36 36.38 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.223 0.609 . . . . 71.200000000000003 111.195 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.31 -24.71 64.87 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.077 0.951 . . . . 74.439999999999998 112.237 178.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -63.55 -34.48 77.89 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.799 0.84 . . . . 51.109999999999999 111.867 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.456 ' HB3' HD13 ' B' ' 11' ' ' LEU . 2.0 m-20 -65.69 -37.8 87.47 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.945 0.898 . . . . 73.200000000000003 110.785 173.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -66.15 -46.75 76.33 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 115.44 -0.8 . . . . 74.120000000000005 111.533 174.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -62.38 -36.77 83.33 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 112.464 0.542 . . . . 72.319999999999993 112.464 -175.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.12 -37.17 64.2 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.248 0.619 . . . . 54.119999999999997 111.581 176.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . 0.486 ' HA3' HD12 ' B' ' 15' ' ' ILE . . . -67.3 -54.82 18.28 Favored Glycine 0 CA--C 1.541 1.664 0 O-C-N 123.108 0.255 . . . . 53.32 112.815 177.247 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.466 HD21 HG11 ' B' ' 66' ' ' VAL . 53.4 tp -57.83 -34.04 69.27 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.47 1.108 . . . . 70.319999999999993 111.743 172.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.57 -31.74 80.87 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-N 115.948 -0.569 . . . . 60.210000000000001 112.495 175.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' TRP . . . . . 0.508 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 15.7 t-105 -76.65 -29.98 56.63 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 123.405 0.682 . . . . 74.219999999999999 110.967 174.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.33 -30.86 71.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.84 -0.537 . . . . 73.430000000000007 110.853 170.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.577 ' HB3' HH12 ' A' ' 51' ' ' ARG . 88.2 mt -74.74 -36.16 62.63 Favored 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 123.82 0.848 . . . . 53.229999999999997 112.732 178.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.666 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -70.84 -25.97 63.07 Favored 'General case' 0 N--CA 1.503 2.208 0 CA-C-N 118.292 0.496 . . . . 75.209999999999994 112.015 174.405 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -88.89 -8.54 54.06 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.946 -0.57 . . . . 53.130000000000003 110.869 173.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 p30 51.84 24.6 2.58 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 126.261 1.824 . . . . 72.439999999999998 112.789 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.401 ' HD3' ' CD1' ' B' ' 16' ' ' TRP . 0.1 OUTLIER -84.38 7.86 18.13 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.799 0.839 . . . . 73.219999999999999 112.17 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.8 m -135.68 163.95 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 C-N-CA 123.563 0.745 . . . . 72.030000000000001 111.357 169.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 14.1 m -122.67 139.91 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.894 0.878 . . . . 75.319999999999993 110.815 170.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 62.1 p -103.01 132.84 48.98 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.76 0.824 . . . . 71.150000000000006 111.292 -178.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 34.1 t -141.97 158.77 43.38 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.159 0.984 . . . . 72.340000000000003 109.053 176.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -110.11 108.39 18.55 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.11 0.481 . . . . 73.519999999999996 110.41 -177.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.447 HG12 ' HG3' ' B' ' 61' ' ' GLU . 93.0 t -107.99 111.65 36.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.81 0.844 . . . . 72.420000000000002 109.036 175.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.447 ' HG3' HG12 ' B' ' 60' ' ' VAL . 26.3 mt-10 61.83 32.26 18.12 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.984 1.313 . . . . 73.349999999999994 112.026 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.25 -26.39 10.31 Favored Glycine 0 CA--C 1.539 1.54 0 CA-C-N 116.411 -0.358 . . . . 75.349999999999994 113.952 -174.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -81.42 153.94 26.66 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.643 0.777 . . . . 74.400000000000006 112.972 -177.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 63.0 mt -77.43 114.99 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.761 0.824 . . . . 72.430000000000007 110.178 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -111.89 122.22 47.19 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.093 0.957 . . . . 60.119999999999997 108.995 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.466 HG11 HD21 ' B' ' 46' ' ' LEU . 16.7 m -128.32 154.12 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.256 0.622 . . . . 74.319999999999993 111.492 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.597 ' HA ' HD23 ' B' ' 19' ' ' LEU . 20.9 pttp -154.46 153.21 31.15 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 115.973 -0.558 . . . . 74.299999999999997 110.36 176.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.6 145.69 55.21 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 120.946 0.403 . . . . 75.129999999999995 111.708 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 94.6 t -75.83 87.67 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 N-CA-C 108.919 -0.771 . . . . 75.530000000000001 108.919 171.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 74.7 mt -93.76 42.94 1.1 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.842 0.857 . . . . 73.420000000000002 109.825 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 62.81 -66.62 0.09 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 126.183 1.793 . . . . 62.340000000000003 112.881 -170.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -49.01 112.14 0.58 Allowed 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.589 1.156 . . . . 63.140000000000001 112.921 -176.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -157.73 159.9 37.33 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 121.295 0.569 . . . . 74.129999999999995 111.722 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -109.87 -172.09 1.97 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.076 0.95 . . . . 64.129999999999995 109.399 163.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -69.91 -74.95 0.12 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.315 0.246 . . . . 63.240000000000002 111.082 176.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -168.86 135.17 1.77 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 122.532 0.333 . . . . 74.519999999999996 111.253 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 23.0 p80 . . . . . 0 N--CA 1.492 1.642 0 C-N-CA 123.789 0.836 . . . . 71.549999999999997 110.611 172.387 . . . . . . . . 0 0 . 1 stop_ save_